1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide

C20H29N3O3 — CID 119536703

IUPAC1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(15-26-18-4-2-1-3-5-18)23-12-8-17(9-13-23)20(25)22-11-7-16-6-10-21-14-16/h1-5,16-17,21H,6-15H2,(H,22,25)
InChIKeyOQYNEJKJKJQWKU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.42
Rot. Bonds7

About 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide

1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 119536703) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
PubChem CID119536703
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(15-26-18-4-2-1-3-5-18)23-12-8-17(9-13-23)20(25)22-11-7-16-6-10-21-14-16/h1-5,16-17,21H,6-15H2,(H,22,25)
InChIKeyOQYNEJKJKJQWKU-UHFFFAOYSA-N
XLogP1.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide 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

1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119533899
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide (CID 119536703) is 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide is O=C(NCCC1CCNC1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is OQYNEJKJKJQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(15-26-18-4-2-1-3-5-18)23-12-8-17(9-13-23)20(25)22-11-7-16-6-10-21-14-16/h1-5,16-17,21H,6-15H2,(H,22,25).
What are the key properties of 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide?
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119536703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).