cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone

C16H26N2O — CID 110197849

IUPACcyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H26N2O/c19-16(14-4-2-1-3-5-14)18-10-7-13(8-11-18)15-6-9-17-12-15/h1-2,13-15,17H,3-12H2
InChIKeyOJKOUTFYZBDFBE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds2

About cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone (PubChem CID 110197849) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
PubChem CID110197849
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Namecyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H26N2O/c19-16(14-4-2-1-3-5-14)18-10-7-13(8-11-18)15-6-9-17-12-15/h1-2,13-15,17H,3-12H2
InChIKeyOJKOUTFYZBDFBE-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
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

1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-, monohydrochloride
CID 41512
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
CID 43607
(4aS,8R,8aS)-N,2-dibutyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011506
2-(1-cyclohexenyl)-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197850
Cambridge id 6579812
CID 44782287
4-[1-(Cyclopent-3-ene-1-carbonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910217
1-{4-[1-(3-cyclopentenylcarbonyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921279
1-{4-[1-(3-cyclohexenylcarbonyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921468
N-{2-[(3-cyclohexen-1-ylcarbonyl)amino]ethyl}-3-cyclohexene-1-carboxamide
CID 4049315
1-(2-Cyclopenten-1-ylacetyl)-3-(1-pyrrolidinylmethyl)piperidine
CID 45933122
N-[[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71853667
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71980193

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone (CID 110197849) is cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The InChIKey is OJKOUTFYZBDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(14-4-2-1-3-5-14)18-10-7-13(8-11-18)15-6-9-17-12-15/h1-2,13-15,17H,3-12H2.
What are the key properties of cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110197849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).