1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone

C16H31NO — CID 70868646

IUPAC1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone
SMILESCCCCCC1CCC(CCC)C(C(C)=O)N1C
InChIInChI=1S/C16H31NO/c1-5-7-8-10-15-12-11-14(9-6-2)16(13(3)18)17(15)4/h14-16H,5-12H2,1-4H3
InChIKeyNMUNPTQCQLCSGW-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.03
Rot. Bonds7

About 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone

1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone (PubChem CID 70868646) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone
PubChem CID70868646
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone
SMILESCCCCCC1CCC(CCC)C(C(C)=O)N1C
InChIInChI=1S/C16H31NO/c1-5-7-8-10-15-12-11-14(9-6-2)16(13(3)18)17(15)4/h14-16H,5-12H2,1-4H3
InChIKeyNMUNPTQCQLCSGW-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone 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-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491
2-heptyl-5-hex-5-enyl-1-methylpyrrolidine
CID 597281
2-decylaziridine-1-carboxamide
CID 175486597
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
1-(4-pentylcyclohexyl)ethanone
CID 13278013
1-pentyl-2-propylcyclopentane
CID 549948
1-(2-butyl-5-methylpiperidin-1-yl)ethanone
CID 91136456
ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
CID 91218401
sodium;hydride;(2-pentylcyclobutyl) acetate
CID 175295819
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone (CID 70868646) is 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone is CCCCCC1CCC(CCC)C(C(C)=O)N1C.
What is the InChIKey of 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone?
The InChIKey is NMUNPTQCQLCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-8-10-15-12-11-14(9-6-2)16(13(3)18)17(15)4/h14-16H,5-12H2,1-4H3.
What are the key properties of 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone?
1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone has a molecular weight of 253.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-pentyl-3-propylpiperidin-2-yl)ethanone is sourced from PubChem (CID 70868646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).