N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide

C19H24ClN5O2 — CID 42191599

IUPACN-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H24ClN5O2/c1-14(26)21-10-9-16-7-4-5-11-25(16)19(27)18-13-24(23-22-18)12-15-6-2-3-8-17(15)20/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyJNEISBXLLYJUED-MRXNPFEDSA-N
MW389.89 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 42191599) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
PubChem CID42191599
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1
InChIInChI=1S/C19H24ClN5O2/c1-14(26)21-10-9-16-7-4-5-11-25(16)19(27)18-13-24(23-22-18)12-15-6-2-3-8-17(15)20/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyJNEISBXLLYJUED-MRXNPFEDSA-N
XLogP2.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide (CID 42191599) is N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1.
What is the InChIKey of N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is JNEISBXLLYJUED-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-14(26)21-10-9-16-7-4-5-11-25(16)19(27)18-13-24(23-22-18)12-15-6-2-3-8-17(15)20/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H,21,26)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 42191599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).