15-methyl-1-piperidin-1-ylhexadecan-1-one

C22H43NO — CID 57076776

IUPAC15-methyl-1-piperidin-1-ylhexadecan-1-one
SMILESCC(C)CCCCCCCCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C22H43NO/c1-21(2)17-13-10-8-6-4-3-5-7-9-11-14-18-22(24)23-19-15-12-16-20-23/h21H,3-20H2,1-2H3
InChIKeyJZZQIXCSDKQIEK-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.73
Rot. Bonds14

About 15-methyl-1-piperidin-1-ylhexadecan-1-one

15-methyl-1-piperidin-1-ylhexadecan-1-one (PubChem CID 57076776) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 15-methyl-1-piperidin-1-ylhexadecan-1-one.

Molecular Properties

Compound Name15-methyl-1-piperidin-1-ylhexadecan-1-one
PubChem CID57076776
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name15-methyl-1-piperidin-1-ylhexadecan-1-one
SMILESCC(C)CCCCCCCCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C22H43NO/c1-21(2)17-13-10-8-6-4-3-5-7-9-11-14-18-22(24)23-19-15-12-16-20-23/h21H,3-20H2,1-2H3
InChIKeyJZZQIXCSDKQIEK-UHFFFAOYSA-N
XLogP6.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15-methyl-1-piperidin-1-ylhexadecan-1-one 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

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
1-(6-methylheptanoyl)piperidin-3-one
CID 115277157
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646

Frequently Asked Questions

What is the IUPAC name of 15-methyl-1-piperidin-1-ylhexadecan-1-one?
The IUPAC name of 15-methyl-1-piperidin-1-ylhexadecan-1-one (CID 57076776) is 15-methyl-1-piperidin-1-ylhexadecan-1-one.
What is the SMILES notation for 15-methyl-1-piperidin-1-ylhexadecan-1-one?
The canonical SMILES for 15-methyl-1-piperidin-1-ylhexadecan-1-one is CC(C)CCCCCCCCCCCCCC(=O)N1CCCCC1.
What is the InChIKey of 15-methyl-1-piperidin-1-ylhexadecan-1-one?
The InChIKey is JZZQIXCSDKQIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-21(2)17-13-10-8-6-4-3-5-7-9-11-14-18-22(24)23-19-15-12-16-20-23/h21H,3-20H2,1-2H3.
What are the key properties of 15-methyl-1-piperidin-1-ylhexadecan-1-one?
15-methyl-1-piperidin-1-ylhexadecan-1-one has a molecular weight of 337.59 g/mol, XLogP of 6.73, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-1-piperidin-1-ylhexadecan-1-one is sourced from PubChem (CID 57076776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).