4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

C21H29N5O2 — CID 46987150

IUPAC4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-28-19-8-4-7-18(13-19)22-21(27)25-11-9-16(10-12-25)14-26-15-20(23-24-26)17-5-2-3-6-17/h4,7-8,13,15-17H,2-3,5-6,9-12,14H2,1H3,(H,22,27)
InChIKeyZRJNWDHOCQLZEO-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.89
Rot. Bonds5

About 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 46987150) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID46987150
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-28-19-8-4-7-18(13-19)22-21(27)25-11-9-16(10-12-25)14-26-15-20(23-24-26)17-5-2-3-6-17/h4,7-8,13,15-17H,2-3,5-6,9-12,14H2,1H3,(H,22,27)
InChIKeyZRJNWDHOCQLZEO-UHFFFAOYSA-N
XLogP3.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 46987150) is 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)c1.
What is the InChIKey of 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ZRJNWDHOCQLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-28-19-8-4-7-18(13-19)22-21(27)25-11-9-16(10-12-25)14-26-15-20(23-24-26)17-5-2-3-6-17/h4,7-8,13,15-17H,2-3,5-6,9-12,14H2,1H3,(H,22,27).
What are the key properties of 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentyltriazol-1-yl)methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).