N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide

C19H28N2O3 — CID 113002840

IUPACN-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-4-14(2)20-19(23)16-9-11-21(12-10-16)18(22)13-15-5-7-17(24-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyJKLUGDRYWFMJIZ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.39
Rot. Bonds6

About N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide

N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113002840) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113002840
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-4-14(2)20-19(23)16-9-11-21(12-10-16)18(22)13-15-5-7-17(24-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,23)
InChIKeyJKLUGDRYWFMJIZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]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-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide (CID 113002840) is N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is JKLUGDRYWFMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-14(2)20-19(23)16-9-11-21(12-10-16)18(22)13-15-5-7-17(24-3)8-6-15/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,23).
What are the key properties of N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).