1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide

C20H30ClN3O2 — CID 55883722

IUPAC1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC(c2ccccc2Cl)N(C)C)C1
InChIInChI=1S/C20H30ClN3O2/c1-4-8-19(25)24-12-7-9-15(14-24)20(26)22-13-18(23(2)3)16-10-5-6-11-17(16)21/h5-6,10-11,15,18H,4,7-9,12-14H2,1-3H3,(H,22,26)
InChIKeyNXRNBSFUEMTYPB-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.10
Rot. Bonds7

About 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide

1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 55883722) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID55883722
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC(c2ccccc2Cl)N(C)C)C1
InChIInChI=1S/C20H30ClN3O2/c1-4-8-19(25)24-12-7-9-15(14-24)20(26)22-13-18(23(2)3)16-10-5-6-11-17(16)21/h5-6,10-11,15,18H,4,7-9,12-14H2,1-3H3,(H,22,26)
InChIKeyNXRNBSFUEMTYPB-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-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

4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
CID 94648221
1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(3S)-3-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51924944
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157
(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 9425344
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 55883722) is 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NCC(c2ccccc2Cl)N(C)C)C1.
What is the InChIKey of 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is NXRNBSFUEMTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-4-8-19(25)24-12-7-9-15(14-24)20(26)22-13-18(23(2)3)16-10-5-6-11-17(16)21/h5-6,10-11,15,18H,4,7-9,12-14H2,1-3H3,(H,22,26).
What are the key properties of 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 379.93 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55883722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).