N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide

C14H18N2O2 — CID 106912818

IUPACN-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cccc(C=O)c2)C1
InChIInChI=1S/C14H18N2O2/c1-11-4-3-7-16(9-11)14(18)15-13-6-2-5-12(8-13)10-17/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H,15,18)
InChIKeyDSUHZNBWVHDPQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.76
Rot. Bonds2

About N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide

N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 106912818) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
PubChem CID106912818
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-formylphenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cccc(C=O)c2)C1
InChIInChI=1S/C14H18N2O2/c1-11-4-3-7-16(9-11)14(18)15-13-6-2-5-12(8-13)10-17/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H,15,18)
InChIKeyDSUHZNBWVHDPQC-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-formylphenyl)-3-methylpiperidine-1-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

3-[3-[(3-methylpiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115277726
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076661
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide (CID 106912818) is N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2cccc(C=O)c2)C1.
What is the InChIKey of N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is DSUHZNBWVHDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-4-3-7-16(9-11)14(18)15-13-6-2-5-12(8-13)10-17/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H,15,18).
What are the key properties of N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide?
N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 106912818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).