N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C21H29N5O2 — CID 119747043

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1
InChIInChI=1S/C21H29N5O2/c1-28-19-7-3-2-6-17(19)21(10-4-5-11-21)15-23-20(27)18-14-26(25-24-18)16-8-12-22-13-9-16/h2-3,6-7,14,16,22H,4-5,8-13,15H2,1H3,(H,23,27)
InChIKeyUBUXYUSMHBXAJH-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.45
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119747043) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119747043
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1
InChIInChI=1S/C21H29N5O2/c1-28-19-7-3-2-6-17(19)21(10-4-5-11-21)15-23-20(27)18-14-26(25-24-18)16-8-12-22-13-9-16/h2-3,6-7,14,16,22H,4-5,8-13,15H2,1H3,(H,23,27)
InChIKeyUBUXYUSMHBXAJH-UHFFFAOYSA-N
XLogP2.45
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770249
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119814008
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119747043) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is COc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UBUXYUSMHBXAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-28-19-7-3-2-6-17(19)21(10-4-5-11-21)15-23-20(27)18-14-26(25-24-18)16-8-12-22-13-9-16/h2-3,6-7,14,16,22H,4-5,8-13,15H2,1H3,(H,23,27).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119747043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).