N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide

C25H31FN4O — CID 59558062

IUPACN-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCN1C[C@H]2CCN(c3ccc(NC(=O)N4CCC(c5ccc(F)cc5)CC4)cc3)[C@H]2C1
InChIInChI=1S/C25H31FN4O/c1-28-16-20-12-15-30(24(20)17-28)23-8-6-22(7-9-23)27-25(31)29-13-10-19(11-14-29)18-2-4-21(26)5-3-18/h2-9,19-20,24H,10-17H2,1H3,(H,27,31)/t20-,24+/m1/s1
InChIKeyBQBRDHIBMUYOQW-YKSBVNFPSA-N
MW422.55 g/mol
LogP4.38
Rot. Bonds3

About N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide

N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 59558062) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID59558062
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC NameN-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCN1C[C@H]2CCN(c3ccc(NC(=O)N4CCC(c5ccc(F)cc5)CC4)cc3)[C@H]2C1
InChIInChI=1S/C25H31FN4O/c1-28-16-20-12-15-30(24(20)17-28)23-8-6-22(7-9-23)27-25(31)29-13-10-19(11-14-29)18-2-4-21(26)5-3-18/h2-9,19-20,24H,10-17H2,1H3,(H,27,31)/t20-,24+/m1/s1
InChIKeyBQBRDHIBMUYOQW-YKSBVNFPSA-N
XLogP4.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 59558121
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-2-methylphenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
CID 59558081
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
(3aS,8aS)-N-(4-fluorophenyl)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide
CID 125227580
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 58866822
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
4-(4-chlorophenyl)-N-[4-[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867575
3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644158
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide (CID 59558062) is N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide is CN1C[C@H]2CCN(c3ccc(NC(=O)N4CCC(c5ccc(F)cc5)CC4)cc3)[C@H]2C1.
What is the InChIKey of N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is BQBRDHIBMUYOQW-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-28-16-20-12-15-30(24(20)17-28)23-8-6-22(7-9-23)27-25(31)29-13-10-19(11-14-29)18-2-4-21(26)5-3-18/h2-9,19-20,24H,10-17H2,1H3,(H,27,31)/t20-,24+/m1/s1.
What are the key properties of N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide?
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 59558062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).