N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide

C19H26N6O — CID 46991393

IUPACN-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(n2cc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H26N6O/c26-19(21-15-6-2-1-3-7-15)24-12-9-16(10-13-24)25-14-18(22-23-25)17-8-4-5-11-20-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,21,26)
InChIKeyIKEWYCBMAKLLSC-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.02
Rot. Bonds3

About N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide

N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 46991393) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
PubChem CID46991393
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(n2cc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C19H26N6O/c26-19(21-15-6-2-1-3-7-15)24-12-9-16(10-13-24)25-14-18(22-23-25)17-8-4-5-11-20-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,21,26)
InChIKeyIKEWYCBMAKLLSC-UHFFFAOYSA-N
XLogP3.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (CID 46991393) is N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(n2cc(-c3ccccn3)nn2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is IKEWYCBMAKLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(21-15-6-2-1-3-7-15)24-12-9-16(10-13-24)25-14-18(22-23-25)17-8-4-5-11-20-17/h4-5,8,11,14-16H,1-3,6-7,9-10,12-13H2,(H,21,26).
What are the key properties of N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46991393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).