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

C14H25N5O — CID 50983903

IUPAC1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCCn2cncn2)C1
InChIInChI=1S/C14H25N5O/c1-3-18-8-4-6-14(2,10-18)13(20)16-7-5-9-19-12-15-11-17-19/h11-12H,3-10H2,1-2H3,(H,16,20)
InChIKeyKHDXJEXFBOFXAO-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.91
Rot. Bonds6

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

1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 50983903) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID50983903
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCCCn2cncn2)C1
InChIInChI=1S/C14H25N5O/c1-3-18-8-4-6-14(2,10-18)13(20)16-7-5-9-19-12-15-11-17-19/h11-12H,3-10H2,1-2H3,(H,16,20)
InChIKeyKHDXJEXFBOFXAO-UHFFFAOYSA-N
XLogP0.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide (CID 50983903) is 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide is CCN1CCCC(C)(C(=O)NCCCn2cncn2)C1.
What is the InChIKey of 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is KHDXJEXFBOFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-18-8-4-6-14(2,10-18)13(20)16-7-5-9-19-12-15-11-17-19/h11-12H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide?
1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 50983903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).