N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

C24H33N5O4 — CID 45247329

IUPACN-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1OC
InChIInChI=1S/C24H33N5O4/c1-32-21-10-6-17(15-22(21)33-2)7-11-23(30)29-13-4-3-5-19(29)12-14-28-16-20(26-27-28)24(31)25-18-8-9-18/h6,10,15-16,18-19H,3-5,7-9,11-14H2,1-2H3,(H,25,31)
InChIKeyLGIOSEBHCZRHKO-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.59
Rot. Bonds10

About N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 45247329) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID45247329
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1ccc(CCC(=O)N2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1OC
InChIInChI=1S/C24H33N5O4/c1-32-21-10-6-17(15-22(21)33-2)7-11-23(30)29-13-4-3-5-19(29)12-14-28-16-20(26-27-28)24(31)25-18-8-9-18/h6,10,15-16,18-19H,3-5,7-9,11-14H2,1-2H3,(H,25,31)
InChIKeyLGIOSEBHCZRHKO-UHFFFAOYSA-N
XLogP2.59
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45208411
N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26336887
1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981
1-[2-[(2R)-1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26340900
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
3-(3,4-dimethoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651867
1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 42373261
1-[2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26324957
3-(3,4-dimethoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95303102
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 45247329) is N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is COc1ccc(CCC(=O)N2CCCCC2CCn2cc(C(=O)NC3CC3)nn2)cc1OC.
What is the InChIKey of N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is LGIOSEBHCZRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-32-21-10-6-17(15-22(21)33-2)7-11-23(30)29-13-4-3-5-19(29)12-14-28-16-20(26-27-28)24(31)25-18-8-9-18/h6,10,15-16,18-19H,3-5,7-9,11-14H2,1-2H3,(H,25,31).
What are the key properties of N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 45247329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).