N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide

C21H27N5O3 — CID 26358981

IUPACN-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)COc2ccccc2)nn1
InChIInChI=1S/C21H27N5O3/c27-20(15-29-18-7-2-1-3-8-18)26-12-5-4-6-17(26)11-13-25-14-19(23-24-25)21(28)22-16-9-10-16/h1-3,7-8,14,16-17H,4-6,9-13,15H2,(H,22,28)/t17-/m1/s1
InChIKeySYRYTPYJOLUVKF-QGZVFWFLSA-N
MW397.48 g/mol
LogP2.02
Rot. Bonds8

About N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 26358981) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID26358981
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)COc2ccccc2)nn1
InChIInChI=1S/C21H27N5O3/c27-20(15-29-18-7-2-1-3-8-18)26-12-5-4-6-17(26)11-13-25-14-19(23-24-25)21(28)22-16-9-10-16/h1-3,7-8,14,16-17H,4-6,9-13,15H2,(H,22,28)/t17-/m1/s1
InChIKeySYRYTPYJOLUVKF-QGZVFWFLSA-N
XLogP2.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45247329
N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738
1-[2-[(2R)-1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26340900
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
1-[2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26324957
1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 42373261
N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45207371
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 26358981) is N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)COc2ccccc2)nn1.
What is the InChIKey of N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is SYRYTPYJOLUVKF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-20(15-29-18-7-2-1-3-8-18)26-12-5-4-6-17(26)11-13-25-14-19(23-24-25)21(28)22-16-9-10-16/h1-3,7-8,14,16-17H,4-6,9-13,15H2,(H,22,28)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 26358981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).