1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid

C18H24N2O3 — CID 166279360

IUPAC1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)N1CCC(C2(C(=O)O)CC2)CC1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-2-20(15-6-4-3-5-7-15)17(23)19-12-8-14(9-13-19)18(10-11-18)16(21)22/h3-7,14H,2,8-13H2,1H3,(H,21,22)
InChIKeyXPKWJHNMAUGZPT-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid

1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 166279360) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID166279360
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)N1CCC(C2(C(=O)O)CC2)CC1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-2-20(15-6-4-3-5-7-15)17(23)19-12-8-14(9-13-19)18(10-11-18)16(21)22/h3-7,14H,2,8-13H2,1H3,(H,21,22)
InChIKeyXPKWJHNMAUGZPT-UHFFFAOYSA-N
XLogP3.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83060774
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
4-[2-(N-cyclohexylanilino)-2-oxoethyl]-1-[ethyl-(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 170355389
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132

Frequently Asked Questions

What is the IUPAC name of 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid (CID 166279360) is 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid is CCN(C(=O)N1CCC(C2(C(=O)O)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is XPKWJHNMAUGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-20(15-6-4-3-5-7-15)17(23)19-12-8-14(9-13-19)18(10-11-18)16(21)22/h3-7,14H,2,8-13H2,1H3,(H,21,22).
What are the key properties of 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166279360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).