(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane

C19H33NO — CID 143693789

IUPAC(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane
SMILESC=C1C(=O)C(CC2CCNCC2)C/C1=C/C(C)(C)C.CC
InChIInChI=1S/C17H27NO.C2H6/c1-12-15(11-17(2,3)4)10-14(16(12)19)9-13-5-7-18-8-6-13;1-2/h11,13-14,18H,1,5-10H2,2-4H3;1-2H3/b15-11-;
InChIKeyDEYPYYVYOLFIFY-PNCOJPCNSA-N
MW291.48 g/mol
LogP4.52
Rot. Bonds2

About (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane

(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane (PubChem CID 143693789) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane.

Molecular Properties

Compound Name(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane
PubChem CID143693789
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane
SMILESC=C1C(=O)C(CC2CCNCC2)C/C1=C/C(C)(C)C.CC
InChIInChI=1S/C17H27NO.C2H6/c1-12-15(11-17(2,3)4)10-14(16(12)19)9-13-5-7-18-8-6-13;1-2/h11,13-14,18H,1,5-10H2,2-4H3;1-2H3/b15-11-;
InChIKeyDEYPYYVYOLFIFY-PNCOJPCNSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane with MolForge

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Related Compounds

(4-Fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone
CID 163739388
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
4-(2-Methylcyclohexa-1,5-dien-1-yl)-5-(4-methylpiperidin-4-yl)pentan-2-one
CID 68046985
(4E,6Z)-2,4-dimethyl-1-(5-methylpiperidin-3-yl)octa-4,6-dien-3-one
CID 89233973
1-(2,4-Dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-4-ylpropan-1-one
CID 90723172
(E)-7-(4-hepta-1,3,5-trien-3-ylpiperidin-4-yl)-5-methylhept-2-en-4-one
CID 123398182
2-[5-[3-(Methylamino)-4-[1-(6-methylcyclohex-2-en-1-yl)heptan-4-yl]cyclohexa-1,5-dien-1-yl]-5-oxopentyl]cyclopentan-1-one
CID 123455969
1-Cyclohex-3-en-1-yl-9-[3-(6-methylcycloocta-1,4,7-trien-1-yl)prop-2-enylamino]-5-propylnonan-1-one
CID 123787243
(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
CID 138480380
2-Methyl-5-prop-1-en-2-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)cyclohex-2-en-1-one
CID 140215636
3-Piperidin-3-ylcyclohex-2-en-1-one
CID 142092058
ethene;2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
CID 155743320

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane?
The IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane (CID 143693789) is (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane.
What is the SMILES notation for (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane?
The canonical SMILES for (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane is C=C1C(=O)C(CC2CCNCC2)C/C1=C/C(C)(C)C.CC.
What is the InChIKey of (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane?
The InChIKey is DEYPYYVYOLFIFY-PNCOJPCNSA-N. The full InChI is InChI=1S/C17H27NO.C2H6/c1-12-15(11-17(2,3)4)10-14(16(12)19)9-13-5-7-18-8-6-13;1-2/h11,13-14,18H,1,5-10H2,2-4H3;1-2H3/b15-11-;.
What are the key properties of (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane?
(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane has a molecular weight of 291.48 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane is sourced from PubChem (CID 143693789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).