N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C16H28N2O — CID 51970034

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O/c1-14-7-5-6-12-18(14)13-16(19)17-11-10-15-8-3-2-4-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyDHXJVLCSAREPBB-AWEZNQCLSA-N
MW264.41 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 51970034) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID51970034
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O/c1-14-7-5-6-12-18(14)13-16(19)17-11-10-15-8-3-2-4-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyDHXJVLCSAREPBB-AWEZNQCLSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 6603138
N-(2-cyclohex-1-en-1-ylethyl)-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
CID 16191563
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopentyloxamide
CID 2287078
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886517
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-cyclopentylpiperidin-4-yl)methyl)oxalamide
CID 16886772
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazino)acetamide;hydrochloride
CID 653009

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 51970034) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is C[C@H]1CCCCN1CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is DHXJVLCSAREPBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14-7-5-6-12-18(14)13-16(19)17-11-10-15-8-3-2-4-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 51970034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).