N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

C24H34N6O — CID 45207371

IUPACN-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCN(C)c1ccc(/C=C/CN2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C24H34N6O/c1-28(2)21-12-8-19(9-13-21)6-5-16-29-15-4-3-7-22(29)14-17-30-18-23(26-27-30)24(31)25-20-10-11-20/h5-6,8-9,12-13,18,20,22H,3-4,7,10-11,14-17H2,1-2H3,(H,25,31)/b6-5+
InChIKeyBTBDANZYFFLMHW-AATRIKPKSA-N
MW422.58 g/mol
LogP3.19
Rot. Bonds9

About N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 45207371) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID45207371
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCN(C)c1ccc(/C=C/CN2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1
InChIInChI=1S/C24H34N6O/c1-28(2)21-12-8-19(9-13-21)6-5-16-29-15-4-3-7-22(29)14-17-30-18-23(26-27-30)24(31)25-20-10-11-20/h5-6,8-9,12-13,18,20,22H,3-4,7,10-11,14-17H2,1-2H3,(H,25,31)/b6-5+
InChIKeyBTBDANZYFFLMHW-AATRIKPKSA-N
XLogP3.19
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738
[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
CID 171138106
1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26336887
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981
1-[2-[(2R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26341710
N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45247329
N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26324562
1-[2-[(2S)-1-[(4-acetamidophenyl)methyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26345856
1-[2-[(2S)-1-(dimethylsulfamoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26403188
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 45207371) is N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is CN(C)c1ccc(/C=C/CN2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1.
What is the InChIKey of N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is BTBDANZYFFLMHW-AATRIKPKSA-N. The full InChI is InChI=1S/C24H34N6O/c1-28(2)21-12-8-19(9-13-21)6-5-16-29-15-4-3-7-22(29)14-17-30-18-23(26-27-30)24(31)25-20-10-11-20/h5-6,8-9,12-13,18,20,22H,3-4,7,10-11,14-17H2,1-2H3,(H,25,31)/b6-5+.
What are the key properties of N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 45207371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).