4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide

C17H27N3O — CID 106911651

IUPAC4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
SMILESCCCNCc1cccc(NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-3-9-18-13-15-5-4-6-16(12-15)19-17(21)20-10-7-14(2)8-11-20/h4-6,12,14,18H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyKJSOXEQIJRPPSL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds5

About 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide

4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide (PubChem CID 106911651) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
PubChem CID106911651
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
SMILESCCCNCc1cccc(NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-3-9-18-13-15-5-4-6-16(12-15)19-17(21)20-10-7-14(2)8-11-20/h4-6,12,14,18H,3,7-11,13H2,1-2H3,(H,19,21)
InChIKeyKJSOXEQIJRPPSL-UHFFFAOYSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide (CID 106911651) is 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide is CCCNCc1cccc(NC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KJSOXEQIJRPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-18-13-15-5-4-6-16(12-15)19-17(21)20-10-7-14(2)8-11-20/h4-6,12,14,18H,3,7-11,13H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide?
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 106911651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).