N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C18H31N5O — CID 72936434

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(C)C)CC1)c1nncn1C1CCCC1
InChIInChI=1S/C18H31N5O/c1-13(2)22-10-8-15(9-11-22)18(24)20-14(3)17-21-19-12-23(17)16-6-4-5-7-16/h12-16H,4-11H2,1-3H3,(H,20,24)
InChIKeySKKWWJMGOSZKLY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.69
Rot. Bonds5

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72936434) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72936434
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(C)C)CC1)c1nncn1C1CCCC1
InChIInChI=1S/C18H31N5O/c1-13(2)22-10-8-15(9-11-22)18(24)20-14(3)17-21-19-12-23(17)16-6-4-5-7-16/h12-16H,4-11H2,1-3H3,(H,20,24)
InChIKeySKKWWJMGOSZKLY-UHFFFAOYSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72936434) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(C(C)C)CC1)c1nncn1C1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is SKKWWJMGOSZKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-13(2)22-10-8-15(9-11-22)18(24)20-14(3)17-21-19-12-23(17)16-6-4-5-7-16/h12-16H,4-11H2,1-3H3,(H,20,24).
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72936434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).