N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide

C25H31N5O2 — CID 45167214

IUPACN-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCOc1ccc(CN2CCCC(n3cc(C(=O)NC4CCCC4)nn3)C2)c2ccccc12
InChIInChI=1S/C25H31N5O2/c1-32-24-13-12-18(21-10-4-5-11-22(21)24)15-29-14-6-9-20(16-29)30-17-23(27-28-30)25(31)26-19-7-2-3-8-19/h4-5,10-13,17,19-20H,2-3,6-9,14-16H2,1H3,(H,26,31)
InChIKeyNCXSWEJEGNUSAF-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.95
Rot. Bonds6

About N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide

N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45167214) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID45167214
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCOc1ccc(CN2CCCC(n3cc(C(=O)NC4CCCC4)nn3)C2)c2ccccc12
InChIInChI=1S/C25H31N5O2/c1-32-24-13-12-18(21-10-4-5-11-22(21)24)15-29-14-6-9-20(16-29)30-17-23(27-28-30)25(31)26-19-7-2-3-8-19/h4-5,10-13,17,19-20H,2-3,6-9,14-16H2,1H3,(H,26,31)
InChIKeyNCXSWEJEGNUSAF-UHFFFAOYSA-N
XLogP3.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 3230999
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(1-methylpiperidin-4-yl)oxy-2-[3-(trifluoromethyl)phenyl]phenyl]phenyl]triazole-4-carboxamide
CID 145959242
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 73443095
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 86765161
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 86765175
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(2-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643609
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643610
1-benzyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]triazole-4-carboxamide
CID 90643611
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(3-hydroxyphenyl)methyl]triazole-4-carboxamide
CID 90643612
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(4-hydroxyphenyl)methyl]triazole-4-carboxamide
CID 90643613
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[[3-(2-fluoroethoxy)phenyl]methyl]triazole-4-carboxamide
CID 90643614
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[[4-(2-fluoroethoxy)phenyl]methyl]triazole-4-carboxamide
CID 90643615

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide (CID 45167214) is N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide is COc1ccc(CN2CCCC(n3cc(C(=O)NC4CCCC4)nn3)C2)c2ccccc12.
What is the InChIKey of N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is NCXSWEJEGNUSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-24-13-12-18(21-10-4-5-11-22(21)24)15-29-14-6-9-20(16-29)30-17-23(27-28-30)25(31)26-19-7-2-3-8-19/h4-5,10-13,17,19-20H,2-3,6-9,14-16H2,1H3,(H,26,31).
What are the key properties of N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45167214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).