N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid

C14H19ClN2O3 — CID 143206932

IUPACN-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2)C1.O=CO
InChIInChI=1S/C13H17ClN2O.CH2O2/c1-10-3-2-8-16(9-10)13(17)15-12-6-4-11(14)5-7-12;2-1-3/h4-7,10H,2-3,8-9H2,1H3,(H,15,17);1H,(H,2,3)
InChIKeyIEDOVJUKVBGVGT-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.30
Rot. Bonds1

About N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid

N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid (PubChem CID 143206932) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
PubChem CID143206932
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2)C1.O=CO
InChIInChI=1S/C13H17ClN2O.CH2O2/c1-10-3-2-8-16(9-10)13(17)15-12-6-4-11(14)5-7-12;2-1-3/h4-7,10H,2-3,8-9H2,1H3,(H,15,17);1H,(H,2,3)
InChIKeyIEDOVJUKVBGVGT-UHFFFAOYSA-N
XLogP3.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
CID 106912818
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid?
The IUPAC name of N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid (CID 143206932) is N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid.
What is the SMILES notation for N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid?
The canonical SMILES for N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid is CC1CCCN(C(=O)Nc2ccc(Cl)cc2)C1.O=CO.
What is the InChIKey of N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid?
The InChIKey is IEDOVJUKVBGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.CH2O2/c1-10-3-2-8-16(9-10)13(17)15-12-6-4-11(14)5-7-12;2-1-3/h4-7,10H,2-3,8-9H2,1H3,(H,15,17);1H,(H,2,3).
What are the key properties of N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid?
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid has a molecular weight of 298.77 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid is sourced from PubChem (CID 143206932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).