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

C19H27N5O — CID 119846768

IUPAC3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccccc1Cn1cncn1)C1CCCNC1
InChIInChI=1S/C19H27N5O/c1-15(16-7-4-8-20-10-16)9-19(25)22-11-17-5-2-3-6-18(17)12-24-14-21-13-23-24/h2-3,5-6,13-16,20H,4,7-12H2,1H3,(H,22,25)
InChIKeyHMRQWOQKWGKHMM-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.97
Rot. Bonds7

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

3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 119846768) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID119846768
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCC(CC(=O)NCc1ccccc1Cn1cncn1)C1CCCNC1
InChIInChI=1S/C19H27N5O/c1-15(16-7-4-8-20-10-16)9-19(25)22-11-17-5-2-3-6-18(17)12-24-14-21-13-23-24/h2-3,5-6,13-16,20H,4,7-12H2,1H3,(H,22,25)
InChIKeyHMRQWOQKWGKHMM-UHFFFAOYSA-N
XLogP1.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119845542
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728201
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide (CID 119846768) is 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide is CC(CC(=O)NCc1ccccc1Cn1cncn1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is HMRQWOQKWGKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15(16-7-4-8-20-10-16)9-19(25)22-11-17-5-2-3-6-18(17)12-24-14-21-13-23-24/h2-3,5-6,13-16,20H,4,7-12H2,1H3,(H,22,25).
What are the key properties of 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119846768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).