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

C17H23N5O — CID 119762393

IUPAC3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(-n2ccnn2)cc1)C1CCNCC1
InChIInChI=1S/C17H23N5O/c1-13(14-6-8-18-9-7-14)12-17(23)20-15-2-4-16(5-3-15)22-11-10-19-21-22/h2-5,10-11,13-14,18H,6-9,12H2,1H3,(H,20,23)
InChIKeyXWRLLBVMNFSLBT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.23
Rot. Bonds5

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

3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide (PubChem CID 119762393) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide
PubChem CID119762393
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(-n2ccnn2)cc1)C1CCNCC1
InChIInChI=1S/C17H23N5O/c1-13(14-6-8-18-9-7-14)12-17(23)20-15-2-4-16(5-3-15)22-11-10-19-21-22/h2-5,10-11,13-14,18H,6-9,12H2,1H3,(H,20,23)
InChIKeyXWRLLBVMNFSLBT-UHFFFAOYSA-N
XLogP2.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
3-piperidin-4-yl-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide;hydrochloride
CID 119399813
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119720516

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide (CID 119762393) is 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide is CC(CC(=O)Nc1ccc(-n2ccnn2)cc1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide?
The InChIKey is XWRLLBVMNFSLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(14-6-8-18-9-7-14)12-17(23)20-15-2-4-16(5-3-15)22-11-10-19-21-22/h2-5,10-11,13-14,18H,6-9,12H2,1H3,(H,20,23).
What are the key properties of 3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide?
3-piperidin-4-yl-N-[4-(triazol-1-yl)phenyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.23, 5 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-(triazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 119762393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).