N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide

C18H27N3O2 — CID 71868348

IUPACN-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)N2CC(C)CCC2C)cc1
InChIInChI=1S/C18H27N3O2/c1-13-4-5-14(2)21(12-13)18(23)19-11-10-16-6-8-17(9-7-16)20-15(3)22/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyHHMYHXDEQPRIIV-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide

N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide (PubChem CID 71868348) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
PubChem CID71868348
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)N2CC(C)CCC2C)cc1
InChIInChI=1S/C18H27N3O2/c1-13-4-5-14(2)21(12-13)18(23)19-11-10-16-6-8-17(9-7-16)20-15(3)22/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyHHMYHXDEQPRIIV-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,5-dimethyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 143234820
N-[2-(4-acetamidophenyl)ethyl]-2-(5-oxopyrrolidin-2-yl)acetamide
CID 138034380
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
4-[2-[(4-methyl-2-oxopiperidine-1-carbonyl)amino]ethyl]benzenesulfinic acid
CID 20504599
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 115296961

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide (CID 71868348) is N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide is CC(=O)Nc1ccc(CCNC(=O)N2CC(C)CCC2C)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
The InChIKey is HHMYHXDEQPRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-4-5-14(2)21(12-13)18(23)19-11-10-16-6-8-17(9-7-16)20-15(3)22/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide?
N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-2,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 71868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).