N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H19Cl2N5O — CID 119685991

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N5O/c1-10(11-2-3-13(17)14(18)8-11)20-16(24)15-9-23(22-21-15)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3,(H,20,24)
InChIKeyKKGJDWYTHXXJLN-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119685991) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119685991
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N5O/c1-10(11-2-3-13(17)14(18)8-11)20-16(24)15-9-23(22-21-15)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3,(H,20,24)
InChIKeyKKGJDWYTHXXJLN-UHFFFAOYSA-N
XLogP3.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119794039
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
N-[1-(4-chlorophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119699892

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119685991) is N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KKGJDWYTHXXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-10(11-2-3-13(17)14(18)8-11)20-16(24)15-9-23(22-21-15)12-4-6-19-7-5-12/h2-3,8-10,12,19H,4-7H2,1H3,(H,20,24).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119685991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).