1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide

C27H38N4O2 — CID 53027630

IUPAC1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)cc1
InChIInChI=1S/C27H38N4O2/c1-19-6-8-23(9-7-19)17-30-13-10-22(11-14-30)16-28-26(32)24-5-4-12-31(18-24)27(33)25-20(2)15-21(3)29-25/h6-9,15,22,24,29H,4-5,10-14,16-18H2,1-3H3,(H,28,32)
InChIKeyOESCJVMAXWYSMG-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.82
Rot. Bonds6

About 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 53027630) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
PubChem CID53027630
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)cc1
InChIInChI=1S/C27H38N4O2/c1-19-6-8-23(9-7-19)17-30-13-10-22(11-14-30)16-28-26(32)24-5-4-12-31(18-24)27(33)25-20(2)15-21(3)29-25/h6-9,15,22,24,29H,4-5,10-14,16-18H2,1-3H3,(H,28,32)
InChIKeyOESCJVMAXWYSMG-UHFFFAOYSA-N
XLogP3.82
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 53067329
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95990180
(3S)-N-[2-[benzyl(methyl)amino]ethyl]-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 97043409
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53031034
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 93065582
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide (CID 53027630) is 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide is Cc1ccc(CN2CCC(CNC(=O)C3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)cc1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is OESCJVMAXWYSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-19-6-8-23(9-7-19)17-30-13-10-22(11-14-30)16-28-26(32)24-5-4-12-31(18-24)27(33)25-20(2)15-21(3)29-25/h6-9,15,22,24,29H,4-5,10-14,16-18H2,1-3H3,(H,28,32).
What are the key properties of 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide?
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).