N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide

C19H22N6O2 — CID 131930403

IUPACN-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESCc1n[nH]nc1C(=O)N1CCCC(CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H22N6O2/c1-12-17(23-24-22-12)19(27)25-8-2-3-13(11-25)10-21-18(26)15-4-5-16-14(9-15)6-7-20-16/h4-7,9,13,20H,2-3,8,10-11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyKOZZGCHLSBNGBT-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.88
Rot. Bonds4

About N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide

N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 131930403) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
PubChem CID131930403
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESCc1n[nH]nc1C(=O)N1CCCC(CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H22N6O2/c1-12-17(23-24-22-12)19(27)25-8-2-3-13(11-25)10-21-18(26)15-4-5-16-14(9-15)6-7-20-16/h4-7,9,13,20H,2-3,8,10-11H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyKOZZGCHLSBNGBT-UHFFFAOYSA-N
XLogP1.88
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 95207398
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 131937541
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126916973

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide (CID 131930403) is N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide is Cc1n[nH]nc1C(=O)N1CCCC(CNC(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide?
The InChIKey is KOZZGCHLSBNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-17(23-24-22-12)19(27)25-8-2-3-13(11-25)10-21-18(26)15-4-5-16-14(9-15)6-7-20-16/h4-7,9,13,20H,2-3,8,10-11H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide?
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 131930403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).