3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide

C18H28N2O — CID 63134870

IUPAC3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-7-15-8-10-16(11-9-15)20-17(21)18(2)12-6-13-19-14-18/h8-11,19H,3-7,12-14H2,1-2H3,(H,20,21)
InChIKeyPNRSHSWBSYNADA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.75
Rot. Bonds6

About 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide

3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide (PubChem CID 63134870) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
PubChem CID63134870
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-7-15-8-10-16(11-9-15)20-17(21)18(2)12-6-13-19-14-18/h8-11,19H,3-7,12-14H2,1-2H3,(H,20,21)
InChIKeyPNRSHSWBSYNADA-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.75
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

3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
3-methyl-N-(2-propylphenyl)piperidine-3-carboxamide
CID 63130513

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide (CID 63134870) is 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide is CCCCCc1ccc(NC(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide?
The InChIKey is PNRSHSWBSYNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-7-15-8-10-16(11-9-15)20-17(21)18(2)12-6-13-19-14-18/h8-11,19H,3-7,12-14H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide?
3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63134870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).