N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C24H30N2O3 — CID 113004404

IUPACN-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-2-25(19-20-9-5-3-6-10-20)24(28)21-13-16-26(17-14-21)23(27)15-18-29-22-11-7-4-8-12-22/h3-12,21H,2,13-19H2,1H3
InChIKeyLQDHTYICBBGQIG-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.74
Rot. Bonds8

About N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 113004404) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID113004404
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC NameN-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-2-25(19-20-9-5-3-6-10-20)24(28)21-13-16-26(17-14-21)23(27)15-18-29-22-11-7-4-8-12-22/h3-12,21H,2,13-19H2,1H3
InChIKeyLQDHTYICBBGQIG-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)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

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 113004404) is N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is LQDHTYICBBGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-25(19-20-9-5-3-6-10-20)24(28)21-13-16-26(17-14-21)23(27)15-18-29-22-11-7-4-8-12-22/h3-12,21H,2,13-19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).