N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

C18H24ClN5O2 — CID 119794039

IUPACN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H24ClN5O2/c1-12(17(26-2)13-3-5-14(19)6-4-13)21-18(25)16-11-24(23-22-16)15-7-9-20-10-8-15/h3-6,11-12,15,17,20H,7-10H2,1-2H3,(H,21,25)
InChIKeyXFVRRDVLXUCUTL-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.36
Rot. Bonds6

About N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119794039) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119794039
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC NameN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H24ClN5O2/c1-12(17(26-2)13-3-5-14(19)6-4-13)21-18(25)16-11-24(23-22-16)15-7-9-20-10-8-15/h3-6,11-12,15,17,20H,7-10H2,1-2H3,(H,21,25)
InChIKeyXFVRRDVLXUCUTL-UHFFFAOYSA-N
XLogP2.36
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119699892
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119789668
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119794039) is N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is COC(c1ccc(Cl)cc1)C(C)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XFVRRDVLXUCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-12(17(26-2)13-3-5-14(19)6-4-13)21-18(25)16-11-24(23-22-16)15-7-9-20-10-8-15/h3-6,11-12,15,17,20H,7-10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119794039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).