1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide

C13H21N5O2 — CID 72883089

IUPAC1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C13H21N5O2/c1-11(19)17-7-2-4-12(10-17)13(20)14-5-3-8-18-9-6-15-16-18/h6,9,12H,2-5,7-8,10H2,1H3,(H,14,20)
InChIKeyWTHCVIBSRRMVSJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.04
Rot. Bonds5

About 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide

1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 72883089) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID72883089
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C13H21N5O2/c1-11(19)17-7-2-4-12(10-17)13(20)14-5-3-8-18-9-6-15-16-18/h6,9,12H,2-5,7-8,10H2,1H3,(H,14,20)
InChIKeyWTHCVIBSRRMVSJ-UHFFFAOYSA-N
XLogP0.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.04
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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Related Compounds

1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 97126904
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132971404
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 42957664
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide (CID 72883089) is 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCCn2ccnn2)C1.
What is the InChIKey of 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is WTHCVIBSRRMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-11(19)17-7-2-4-12(10-17)13(20)14-5-3-8-18-9-6-15-16-18/h6,9,12H,2-5,7-8,10H2,1H3,(H,14,20).
What are the key properties of 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide?
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72883089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).