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

C26H34N4O2 — CID 59558121

IUPACN-[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
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccc(N4CC[C@@H]5CN(C)C[C@@H]54)cc3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-28-17-21-13-16-30(25(21)18-28)23-7-5-22(6-8-23)27-26(31)29-14-11-20(12-15-29)19-3-9-24(32-2)10-4-19/h3-10,20-21,25H,11-18H2,1-2H3,(H,27,31)/t21-,25+/m1/s1
InChIKeyHSTMMSQRDAYFPV-BWKNWUBXSA-N
MW434.58 g/mol
LogP4.25
Rot. Bonds4

About 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

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 (PubChem CID 59558121) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 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-methoxyphenyl)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-methoxyphenyl)piperidine-1-carboxamide
PubChem CID59558121
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[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
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccc(N4CC[C@@H]5CN(C)C[C@@H]54)cc3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-28-17-21-13-16-30(25(21)18-28)23-7-5-22(6-8-23)27-26(31)29-14-11-20(12-15-29)19-3-9-24(32-2)10-4-19/h3-10,20-21,25H,11-18H2,1-2H3,(H,27,31)/t21-,25+/m1/s1
InChIKeyHSTMMSQRDAYFPV-BWKNWUBXSA-N
XLogP4.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
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
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
(3aS,9aS,9bS)-N-(4-methoxyphenyl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine-2-carboxamide
CID 129353014
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124516055
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074

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-methoxyphenyl)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-methoxyphenyl)piperidine-1-carboxamide (CID 59558121) is 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.
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-methoxyphenyl)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-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(C2CCN(C(=O)Nc3ccc(N4CC[C@@H]5CN(C)C[C@@H]54)cc3)CC2)cc1.
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-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HSTMMSQRDAYFPV-BWKNWUBXSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-28-17-21-13-16-30(25(21)18-28)23-7-5-22(6-8-23)27-26(31)29-14-11-20(12-15-29)19-3-9-24(32-2)10-4-19/h3-10,20-21,25H,11-18H2,1-2H3,(H,27,31)/t21-,25+/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-methoxyphenyl)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-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 59558121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).