1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one

C12H21NO2 — CID 162083212

IUPAC1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
SMILESCO[C@H]1CCC[C@H](N2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h10,12H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyZCPNMWVTFBSBRJ-JQWIXIFHSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds2

About 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one

1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one (PubChem CID 162083212) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
PubChem CID162083212
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
SMILESCO[C@H]1CCC[C@H](N2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h10,12H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyZCPNMWVTFBSBRJ-JQWIXIFHSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
1-(3,4-dimethylcyclohexyl)piperidin-4-one
CID 64738365
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882548
3-tert-butyl-1-(3-methoxycyclohexyl)-1,4-diazepane-2,5-dione
CID 64882454
1-(3-methoxycyclohexyl)piperazine-2,5-dione
CID 64875228
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
CID 130531234
4-methoxycycloheptan-1-one
CID 551377
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554
[(1S,3S)-3-methoxycyclohexyl] 4-oxocyclohexane-1-carboxylate
CID 97319955

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one?
The IUPAC name of 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one (CID 162083212) is 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one.
What is the SMILES notation for 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one?
The canonical SMILES for 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one is CO[C@H]1CCC[C@H](N2CCC(=O)CC2)C1.
What is the InChIKey of 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one?
The InChIKey is ZCPNMWVTFBSBRJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12-4-2-3-10(9-12)13-7-5-11(14)6-8-13/h10,12H,2-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one?
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one is sourced from PubChem (CID 162083212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).