(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone

C17H22ClN5O — CID 119376351

IUPAC(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
SMILESCCCc1nc(C(=O)N2CCC(N)CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O/c1-2-5-15-20-16(17(24)22-10-8-12(19)9-11-22)21-23(15)14-7-4-3-6-13(14)18/h3-4,6-7,12H,2,5,8-11,19H2,1H3
InChIKeyGIRBOAFKDGSNDU-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.44
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone

(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone (PubChem CID 119376351) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
PubChem CID119376351
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
SMILESCCCc1nc(C(=O)N2CCC(N)CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O/c1-2-5-15-20-16(17(24)22-10-8-12(19)9-11-22)21-23(15)14-7-4-3-6-13(14)18/h3-4,6-7,12H,2,5,8-11,19H2,1H3
InChIKeyGIRBOAFKDGSNDU-UHFFFAOYSA-N
XLogP2.44
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119375282
(3S,4S)-1-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112436
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]methanone
CID 119410071
(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 119376894
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 122067149
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119385059
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032429
N-[1-[1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 126782629
1-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 119463941
[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545252
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564007
[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557467

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone (CID 119376351) is (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone is CCCc1nc(C(=O)N2CCC(N)CC2)nn1-c1ccccc1Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone?
The InChIKey is GIRBOAFKDGSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-2-5-15-20-16(17(24)22-10-8-12(19)9-11-22)21-23(15)14-7-4-3-6-13(14)18/h3-4,6-7,12H,2,5,8-11,19H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 119376351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).