(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C15H27N5O — CID 164640594

IUPAC(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCn1cnnc1C[C@H]1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)8-13-6-5-7-20(10-13)15(21)16-9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeyZGOPXVQLPPESIK-CYBMUJFWSA-N
MW293.41 g/mol
LogP1.92
Rot. Bonds5

About (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide

(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 164640594) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID164640594
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCCn1cnnc1C[C@H]1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)8-13-6-5-7-20(10-13)15(21)16-9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeyZGOPXVQLPPESIK-CYBMUJFWSA-N
XLogP1.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 164640594) is (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CCn1cnnc1C[C@H]1CCCN(C(=O)NCC(C)C)C1.
What is the InChIKey of (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is ZGOPXVQLPPESIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)8-13-6-5-7-20(10-13)15(21)16-9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 164640594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).