N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

C23H33N5O4 — CID 26336887

IUPACN-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C23H33N5O4/c1-30-20-12-16(13-21(31-2)22(20)32-3)14-27-10-5-4-6-18(27)9-11-28-15-19(25-26-28)23(29)24-17-7-8-17/h12-13,15,17-18H,4-11,14H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyHPPSKAPZUCMKOR-SFHVURJKSA-N
MW443.55 g/mol
LogP2.64
Rot. Bonds10

About N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 26336887) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID26336887
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC NameN-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCOc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C23H33N5O4/c1-30-20-12-16(13-21(31-2)22(20)32-3)14-27-10-5-4-6-18(27)9-11-28-15-19(25-26-28)23(29)24-17-7-8-17/h12-13,15,17-18H,4-11,14H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyHPPSKAPZUCMKOR-SFHVURJKSA-N
XLogP2.64
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
1-[2-[(2S)-1-[(4-acetamidophenyl)methyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26345856
N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738
N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45207371
1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45208411
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981
N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26324562
1-[2-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26355822
1-[2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26324957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 26336887) is N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is COc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is HPPSKAPZUCMKOR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-30-20-12-16(13-21(31-2)22(20)32-3)14-27-10-5-4-6-18(27)9-11-28-15-19(25-26-28)23(29)24-17-7-8-17/h12-13,15,17-18H,4-11,14H2,1-3H3,(H,24,29)/t18-/m0/s1.
What are the key properties of N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 26336887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).