3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide

C18H25N5O — CID 119866382

IUPAC3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccc(-n2cncn2)cc1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)21-11-15-2-4-17(5-3-15)23-13-20-12-22-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,21,24)
InChIKeyQNVJQIRHOYZEJF-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.91
Rot. Bonds6

About 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide

3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide (PubChem CID 119866382) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
PubChem CID119866382
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccc(-n2cncn2)cc1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)21-11-15-2-4-17(5-3-15)23-13-20-12-22-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,21,24)
InChIKeyQNVJQIRHOYZEJF-UHFFFAOYSA-N
XLogP1.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119866390
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide (CID 119866382) is 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide is CC(CC(=O)NCc1ccc(-n2cncn2)cc1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide?
The InChIKey is QNVJQIRHOYZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)21-11-15-2-4-17(5-3-15)23-13-20-12-22-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,21,24).
What are the key properties of 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide?
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 119866382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).