N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide

C20H30N2O2 — CID 113005543

IUPACN-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-15(2)8-11-21-20(24)17-9-12-22(13-10-17)19(23)14-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3,(H,21,24)
InChIKeyXYKQPIDFHDESOF-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.94
Rot. Bonds6

About N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide

N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113005543) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113005543
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-15(2)8-11-21-20(24)17-9-12-22(13-10-17)19(23)14-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3,(H,21,24)
InChIKeyXYKQPIDFHDESOF-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
CID 166782044
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113005543) is N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1ccccc1CC(=O)N1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is XYKQPIDFHDESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)8-11-21-20(24)17-9-12-22(13-10-17)19(23)14-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113005543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).