N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide

C21H32N2O2 — CID 43886892

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-4-5-6-7-11-20(24)22-19-10-8-9-18(16-19)21(25)23-14-12-17(2)13-15-23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H,22,24)
InChIKeyHUKAHUKLNLABJP-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.86
Rot. Bonds8

About N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide (PubChem CID 43886892) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
PubChem CID43886892
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-3-4-5-6-7-11-20(24)22-19-10-8-9-18(16-19)21(25)23-14-12-17(2)13-15-23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H,22,24)
InChIKeyHUKAHUKLNLABJP-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
3-(heptanoylamino)benzamide
CID 54789184
(2R)-2-butyl-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2,5-dihydropyrrole-1-carboxamide
CID 97286220
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide (CID 43886892) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide is CCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide?
The InChIKey is HUKAHUKLNLABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-4-5-6-7-11-20(24)22-19-10-8-9-18(16-19)21(25)23-14-12-17(2)13-15-23/h8-10,16-17H,3-7,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide has a molecular weight of 344.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide is sourced from PubChem (CID 43886892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).