N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide

C17H22N2O — CID 47069247

IUPACN-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C17H22N2O/c1-3-11-19-12-9-15(10-13-19)17(20)18-16-8-6-5-7-14(16)4-2/h1,5-8,15H,4,9-13H2,2H3,(H,18,20)
InChIKeyGQOZOQVLIDPYDB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.53
Rot. Bonds4

About N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide

N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 47069247) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID47069247
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C17H22N2O/c1-3-11-19-12-9-15(10-13-19)17(20)18-16-8-6-5-7-14(16)4-2/h1,5-8,15H,4,9-13H2,2H3,(H,18,20)
InChIKeyGQOZOQVLIDPYDB-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86850936
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71937481
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide (CID 47069247) is N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is GQOZOQVLIDPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-11-19-12-9-15(10-13-19)17(20)18-16-8-6-5-7-14(16)4-2/h1,5-8,15H,4,9-13H2,2H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide?
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 47069247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).