N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide

C25H31N5O — CID 42151013

IUPACN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C25H31N5O/c31-25(23-20-30(28-27-23)18-10-13-21-11-4-1-5-12-21)26-19-24(22-14-6-2-7-15-22)29-16-8-3-9-17-29/h1-2,4-7,11-12,14-15,20,24H,3,8-10,13,16-19H2,(H,26,31)/t24-/m0/s1
InChIKeyZDOMLHDYGWJZOU-DEOSSOPVSA-N
MW417.56 g/mol
LogP3.87
Rot. Bonds9

About N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide

N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide (PubChem CID 42151013) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
PubChem CID42151013
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C25H31N5O/c31-25(23-20-30(28-27-23)18-10-13-21-11-4-1-5-12-21)26-19-24(22-14-6-2-7-15-22)29-16-8-3-9-17-29/h1-2,4-7,11-12,14-15,20,24H,3,8-10,13,16-19H2,(H,26,31)/t24-/m0/s1
InChIKeyZDOMLHDYGWJZOU-DEOSSOPVSA-N
XLogP3.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-phenylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide
CID 45186039
1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide
CID 70786137
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
CID 30333373
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 25460286
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008768

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide (CID 42151013) is N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide is O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1.
What is the InChIKey of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
The InChIKey is ZDOMLHDYGWJZOU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H31N5O/c31-25(23-20-30(28-27-23)18-10-13-21-11-4-1-5-12-21)26-19-24(22-14-6-2-7-15-22)29-16-8-3-9-17-29/h1-2,4-7,11-12,14-15,20,24H,3,8-10,13,16-19H2,(H,26,31)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide?
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1-(3-phenylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 42151013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).