N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide

C18H26N2O2 — CID 113006682

IUPACN-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-20(16-8-6-5-7-9-16)18(22)15-10-12-19(13-11-15)17(21)14(2)3/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyQQTIYWJVTVLCIT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.93
Rot. Bonds4

About N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide

N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 113006682) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
PubChem CID113006682
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-4-20(16-8-6-5-7-9-16)18(22)15-10-12-19(13-11-15)17(21)14(2)3/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyQQTIYWJVTVLCIT-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 113006703
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591071
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide (CID 113006682) is N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is QQTIYWJVTVLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-20(16-8-6-5-7-9-16)18(22)15-10-12-19(13-11-15)17(21)14(2)3/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide?
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).