2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid

C16H23N3O3 — CID 166791824

IUPAC2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
SMILESCN1CCC(C(=O)Nc2ccc(CCNC(=O)O)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-19-10-7-13(8-11-19)15(20)18-14-4-2-12(3-5-14)6-9-17-16(21)22/h2-5,13,17H,6-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyGWAONKIDYOYLLX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid

2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid (PubChem CID 166791824) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
PubChem CID166791824
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
SMILESCN1CCC(C(=O)Nc2ccc(CCNC(=O)O)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-19-10-7-13(8-11-19)15(20)18-14-4-2-12(3-5-14)6-9-17-16(21)22/h2-5,13,17H,6-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyGWAONKIDYOYLLX-UHFFFAOYSA-N
XLogP1.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 82262226
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
tert-butyl 4-[[4-(2-phenylethylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid (CID 166791824) is 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid is CN1CCC(C(=O)Nc2ccc(CCNC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid?
The InChIKey is GWAONKIDYOYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-19-10-7-13(8-11-19)15(20)18-14-4-2-12(3-5-14)6-9-17-16(21)22/h2-5,13,17H,6-11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid?
2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid has a molecular weight of 305.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid is sourced from PubChem (CID 166791824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).