1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide

C15H27N5O — CID 164640152

IUPAC1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)nn1
InChIInChI=1S/C15H27N5O/c1-4-20-11-14(17-18-20)15(21)16-8-13-6-5-7-19(10-13)9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeyNSKWXSBZFXFPSA-CYBMUJFWSA-N
MW293.41 g/mol
LogP1.40
Rot. Bonds6

About 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide

1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 164640152) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID164640152
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)nn1
InChIInChI=1S/C15H27N5O/c1-4-20-11-14(17-18-20)15(21)16-8-13-6-5-7-19(10-13)9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1
InChIKeyNSKWXSBZFXFPSA-CYBMUJFWSA-N
XLogP1.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide (CID 164640152) is 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide is CCn1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)nn1.
What is the InChIKey of 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is NSKWXSBZFXFPSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-20-11-14(17-18-20)15(21)16-8-13-6-5-7-19(10-13)9-12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)/t13-/m1/s1.
What are the key properties of 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 164640152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).