N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide

C25H29N5O2 — CID 42114508

IUPACN-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H29N5O2/c1-19(31)26-16-15-22-14-8-9-17-29(22)25(32)23-18-30(28-27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22,24H,8-9,14-17H2,1H3,(H,26,31)/t22-/m1/s1
InChIKeyVGKLKBUHVJQBSS-JOCHJYFZSA-N
MW431.54 g/mol
LogP3.44
Rot. Bonds7

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

N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide (PubChem CID 42114508) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
PubChem CID42114508
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H29N5O2/c1-19(31)26-16-15-22-14-8-9-17-29(22)25(32)23-18-30(28-27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22,24H,8-9,14-17H2,1H3,(H,26,31)/t22-/m1/s1
InChIKeyVGKLKBUHVJQBSS-JOCHJYFZSA-N
XLogP3.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599
ethyl (2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42151531
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
CID 97125151
(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42377969
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
CID 45178950
[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 92586042
(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide (CID 42114508) is N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide?
The InChIKey is VGKLKBUHVJQBSS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19(31)26-16-15-22-14-8-9-17-29(22)25(32)23-18-30(28-27-23)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,18,22,24H,8-9,14-17H2,1H3,(H,26,31)/t22-/m1/s1.
What are the key properties of N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide?
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.44, 7 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-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 42114508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).