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

C18H25N5O — CID 119843495

IUPAC3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(Cn2cncn2)cc1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)22-17-4-2-15(3-5-17)11-23-13-20-12-21-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,22,24)
InChIKeyVOCMTDBXXOCFET-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds6

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

3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide (PubChem CID 119843495) 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-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
PubChem CID119843495
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(Cn2cncn2)cc1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)22-17-4-2-15(3-5-17)11-23-13-20-12-21-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,22,24)
InChIKeyVOCMTDBXXOCFET-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide (CID 119843495) is 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide is CC(CC(=O)Nc1ccc(Cn2cncn2)cc1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide?
The InChIKey is VOCMTDBXXOCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(16-6-8-19-9-7-16)10-18(24)22-17-4-2-15(3-5-17)11-23-13-20-12-21-23/h2-5,12-14,16,19H,6-11H2,1H3,(H,22,24).
What are the key properties of 3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide?
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.29, 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-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 119843495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).