2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide

C26H26N4O — CID 151942382

IUPAC2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1
InChIInChI=1S/C26H26N4O/c31-26(28-23-8-12-27-13-9-23)21-6-7-24-22(17-21)18-25(29-24)30-14-10-20(11-15-30)16-19-4-2-1-3-5-19/h1-9,12-13,17-18,20,29H,10-11,14-16H2,(H,27,28,31)
InChIKeyTUYIOUWXCSWPID-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.27
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide (PubChem CID 151942382) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide
PubChem CID151942382
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1
InChIInChI=1S/C26H26N4O/c31-26(28-23-8-12-27-13-9-23)21-6-7-24-22(17-21)18-25(29-24)30-14-10-20(11-15-30)16-19-4-2-1-3-5-19/h1-9,12-13,17-18,20,29H,10-11,14-16H2,(H,27,28,31)
InChIKeyTUYIOUWXCSWPID-UHFFFAOYSA-N
XLogP5.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chlorophenyl)methyl]piperidin-1-yl]-1H-indole-5-carboxamide
CID 54107510
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
CID 3879115
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
2-(4-benzylpiperidin-1-yl)-5-[(4-bromobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 3255178
1-[2-(4-benzylpiperidin-1-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 147321423
3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 3436224
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide (CID 151942382) is 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide is O=C(Nc1ccncc1)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide?
The InChIKey is TUYIOUWXCSWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-26(28-23-8-12-27-13-9-23)21-6-7-24-22(17-21)18-25(29-24)30-14-10-20(11-15-30)16-19-4-2-1-3-5-19/h1-9,12-13,17-18,20,29H,10-11,14-16H2,(H,27,28,31).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-pyridin-4-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 151942382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).