N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C16H27N5O — CID 119722097

IUPACN-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(C(=O)c1nnn(C2CCNCC2)c1C)C1CCCC1
InChIInChI=1S/C16H27N5O/c1-3-20(13-6-4-5-7-13)16(22)15-12(2)21(19-18-15)14-8-10-17-11-9-14/h13-14,17H,3-11H2,1-2H3
InChIKeyPFSFOXRNEDILJE-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119722097) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119722097
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(C(=O)c1nnn(C2CCNCC2)c1C)C1CCCC1
InChIInChI=1S/C16H27N5O/c1-3-20(13-6-4-5-7-13)16(22)15-12(2)21(19-18-15)14-8-10-17-11-9-14/h13-14,17H,3-11H2,1-2H3
InChIKeyPFSFOXRNEDILJE-UHFFFAOYSA-N
XLogP1.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119722097) is N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCN(C(=O)c1nnn(C2CCNCC2)c1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PFSFOXRNEDILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-3-20(13-6-4-5-7-13)16(22)15-12(2)21(19-18-15)14-8-10-17-11-9-14/h13-14,17H,3-11H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119722097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).