N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

C68H101Cl2N11O5 — CID 159259871

IUPACN-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2C[C@@]3(C)CN(C(=O)c4c(C)ccnc4C)C[C@@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC(=O)N1CCC(C(=O)N(CCCN2C[C@]3(C)CNC[C@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC12CNCC1(C)CNC2
InChIInChI=1S/C34H46ClN5O3.C26H39ClN4O2.C8H16N2/c1-23-8-9-28(18-29(23)35)40(31(42)27-11-16-38(17-12-27)26(4)41)15-7-14-37-19-33(5)21-39(22-34(33,6)20-37)32(43)30-24(2)10-13-36-25(30)3;1-19-6-7-22(14-23(19)27)31(24(33)21-8-12-30(13-9-21)20(2)32)11-5-10-29-17-25(3)15-28-16-26(25,4)18-29;1-7-3-9-5-8(7,2)6-10-4-7/h8-10,13,18,27H,7,11-12,14-17,19-22H2,1-6H3;6-7,14,21,28H,5,8-13,15-18H2,1-4H3;9-10H,3-6H2,1-2H3/t33-,34+;25-,26+;
InChIKeyKWJDQUBGGOBHMH-OTXZULMCSA-N
MW1223.53 g/mol
LogP8.89
Rot. Bonds13

About N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 159259871) has the molecular formula C68H101Cl2N11O5 and a molecular weight of 1223.53 g/mol. Its IUPAC name is N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID159259871
Molecular FormulaC68H101Cl2N11O5
Molecular Weight1223.53 g/mol
Exact Mass1221.74
IUPAC NameN-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2C[C@@]3(C)CN(C(=O)c4c(C)ccnc4C)C[C@@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC(=O)N1CCC(C(=O)N(CCCN2C[C@]3(C)CNC[C@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC12CNCC1(C)CNC2
InChIInChI=1S/C34H46ClN5O3.C26H39ClN4O2.C8H16N2/c1-23-8-9-28(18-29(23)35)40(31(42)27-11-16-38(17-12-27)26(4)41)15-7-14-37-19-33(5)21-39(22-34(33,6)20-37)32(43)30-24(2)10-13-36-25(30)3;1-19-6-7-22(14-23(19)27)31(24(33)21-8-12-30(13-9-21)20(2)32)11-5-10-29-17-25(3)15-28-16-26(25,4)18-29;1-7-3-9-5-8(7,2)6-10-4-7/h8-10,13,18,27H,7,11-12,14-17,19-22H2,1-6H3;6-7,14,21,28H,5,8-13,15-18H2,1-4H3;9-10H,3-6H2,1-2H3/t33-,34+;25-,26+;
InChIKeyKWJDQUBGGOBHMH-OTXZULMCSA-N
XLogP8.89
TPSA157.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.53
LogP ≤ 58.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (CID 159259871) is N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2C[C@@]3(C)CN(C(=O)c4c(C)ccnc4C)C[C@@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC(=O)N1CCC(C(=O)N(CCCN2C[C@]3(C)CNC[C@]3(C)C2)c2ccc(C)c(Cl)c2)CC1.CC12CNCC1(C)CNC2.
What is the InChIKey of N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is KWJDQUBGGOBHMH-OTXZULMCSA-N. The full InChI is InChI=1S/C34H46ClN5O3.C26H39ClN4O2.C8H16N2/c1-23-8-9-28(18-29(23)35)40(31(42)27-11-16-38(17-12-27)26(4)41)15-7-14-37-19-33(5)21-39(22-34(33,6)20-37)32(43)30-24(2)10-13-36-25(30)3;1-19-6-7-22(14-23(19)27)31(24(33)21-8-12-30(13-9-21)20(2)32)11-5-10-29-17-25(3)15-28-16-26(25,4)18-29;1-7-3-9-5-8(7,2)6-10-4-7/h8-10,13,18,27H,7,11-12,14-17,19-22H2,1-6H3;6-7,14,21,28H,5,8-13,15-18H2,1-4H3;9-10H,3-6H2,1-2H3/t33-,34+;25-,26+;.
What are the key properties of N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 1223.53 g/mol, XLogP of 8.89, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide;3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;N-[3-[(3aR,6aS)-5-(2,4-dimethylpyridine-3-carbonyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 159259871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).