N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C16H28N2O — CID 51970015

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14-6-5-11-18(12-14)13-16(19)17-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJOHLZMVBAGHRSW-CQSZACIVSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 51970015) 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-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID51970015
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14-6-5-11-18(12-14)13-16(19)17-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJOHLZMVBAGHRSW-CQSZACIVSA-N
XLogP2.72
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 ≤ 52.72
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-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55766889
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267549
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084867
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95327157
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
3-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109014873
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55816121

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 51970015) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is JOHLZMVBAGHRSW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14-6-5-11-18(12-14)13-16(19)17-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.72, 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-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 51970015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).