(4-methylidenecyclohexyl)-piperidin-1-ylmethanone

C13H21NO — CID 90711558

IUPAC(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
SMILESC=C1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H21NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h12H,1-10H2
InChIKeyJORLVZPGDDNLRC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds1

About (4-methylidenecyclohexyl)-piperidin-1-ylmethanone

(4-methylidenecyclohexyl)-piperidin-1-ylmethanone (PubChem CID 90711558) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4-methylidenecyclohexyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
PubChem CID90711558
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
SMILESC=C1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H21NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h12H,1-10H2
InChIKeyJORLVZPGDDNLRC-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aziridin-1-yl-(4-methylidenecyclohexyl)methanone
CID 91507558
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 21177985
azepan-1-yl(thian-4-yl)methanone
CID 110856329
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
CID 136559926

Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methylidenecyclohexyl)-piperidin-1-ylmethanone (CID 90711558) is (4-methylidenecyclohexyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methylidenecyclohexyl)-piperidin-1-ylmethanone is C=C1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-methylidenecyclohexyl)-piperidin-1-ylmethanone?
The InChIKey is JORLVZPGDDNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h12H,1-10H2.
What are the key properties of (4-methylidenecyclohexyl)-piperidin-1-ylmethanone?
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone has a molecular weight of 207.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohexyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 90711558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).