1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide

C22H31N5O2 — CID 166397917

IUPAC1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC2(C)CCN(C(=O)c3cncc4[nH]ccc34)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-22(15-25-20(28)16-4-9-26(2)10-5-16)6-11-27(12-7-22)21(29)18-13-23-14-19-17(18)3-8-24-19/h3,8,13-14,16,24H,4-7,9-12,15H2,1-2H3,(H,25,28)
InChIKeyVQGRJTBUAQSFHY-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide

1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 166397917) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
PubChem CID166397917
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC2(C)CCN(C(=O)c3cncc4[nH]ccc34)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-22(15-25-20(28)16-4-9-26(2)10-5-16)6-11-27(12-7-22)21(29)18-13-23-14-19-17(18)3-8-24-19/h3,8,13-14,16,24H,4-7,9-12,15H2,1-2H3,(H,25,28)
InChIKeyVQGRJTBUAQSFHY-UHFFFAOYSA-N
XLogP2.26
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]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

Related Compounds

1-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)piperidine-4-carboxamide
CID 167064572
[4-[(2-ethylphenyl)-(2-methylphenyl)methylidene]piperidin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone;formaldehyde
CID 166114854
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 175009560
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 47017719

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 166397917) is 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide is CN1CCC(C(=O)NCC2(C)CCN(C(=O)c3cncc4[nH]ccc34)CC2)CC1.
What is the InChIKey of 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is VQGRJTBUAQSFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-22(15-25-20(28)16-4-9-26(2)10-5-16)6-11-27(12-7-22)21(29)18-13-23-14-19-17(18)3-8-24-19/h3,8,13-14,16,24H,4-7,9-12,15H2,1-2H3,(H,25,28).
What are the key properties of 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 166397917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).