1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one

C13H21NO2 — CID 143542708

IUPAC1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
SMILESCCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H21NO2/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14/h3,13H,2,4-10H2,1H3/t13-/m1/s1
InChIKeyVPDKLALGVXMZDD-CYBMUJFWSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one

1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one (PubChem CID 143542708) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
PubChem CID143542708
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
SMILESCCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H21NO2/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14/h3,13H,2,4-10H2,1H3/t13-/m1/s1
InChIKeyVPDKLALGVXMZDD-CYBMUJFWSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-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

4-(4-Methoxycyclohexen-1-yl)morpholine
CID 15658164
Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
CID 540005
1-(4-Methoxycyclohexen-1-yl)piperidine
CID 23342940
1-[(4R)-4-propoxycyclohexen-1-yl]piperidin-4-one
CID 68075504
1-[(4R)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 68081936
ethane;1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one
CID 143542707

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The IUPAC name of 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one (CID 143542708) is 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one.
What is the SMILES notation for 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The canonical SMILES for 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one is CCO[C@@H]1CC=C(N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
The InChIKey is VPDKLALGVXMZDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-13-5-3-11(4-6-13)14-9-7-12(15)8-10-14/h3,13H,2,4-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one?
1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-ethoxycyclohexen-1-yl]piperidin-4-one is sourced from PubChem (CID 143542708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).