N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C21H29N5O3 — CID 42419244

IUPACN-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOc1ccc(O)c(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-29-18-6-7-20(27)15(12-18)13-25-10-8-17(9-11-25)26-14-19(23-24-26)21(28)22-16-4-2-3-5-16/h6-7,12,14,16-17,27H,2-5,8-11,13H2,1H3,(H,22,28)
InChIKeyLKHYKCSJCLLPBO-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.50
Rot. Bonds6

About N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide

N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 42419244) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID42419244
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOc1ccc(O)c(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-29-18-6-7-20(27)15(12-18)13-25-10-8-17(9-11-25)26-14-19(23-24-26)21(28)22-16-4-2-3-5-16/h6-7,12,14,16-17,27H,2-5,8-11,13H2,1H3,(H,22,28)
InChIKeyLKHYKCSJCLLPBO-UHFFFAOYSA-N
XLogP2.50
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26347462
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42238606
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
N-cyclopentyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]triazole-4-carboxamide
CID 56712352
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 42419244) is N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is COc1ccc(O)c(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1.
What is the InChIKey of N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is LKHYKCSJCLLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-29-18-6-7-20(27)15(12-18)13-25-10-8-17(9-11-25)26-14-19(23-24-26)21(28)22-16-4-2-3-5-16/h6-7,12,14,16-17,27H,2-5,8-11,13H2,1H3,(H,22,28).
What are the key properties of N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 42419244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).