(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone

C15H24N2O — CID 121184137

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(=C3CC3)CC2)C1
InChIInChI=1S/C15H24N2O/c1-16-8-2-3-14(11-16)15(18)17-9-6-13(7-10-17)12-4-5-12/h14H,2-11H2,1H3
InChIKeyBZUJXPGXXQBFKH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds1

About (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone (PubChem CID 121184137) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
PubChem CID121184137
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(=C3CC3)CC2)C1
InChIInChI=1S/C15H24N2O/c1-16-8-2-3-14(11-16)15(18)17-9-6-13(7-10-17)12-4-5-12/h14H,2-11H2,1H3
InChIKeyBZUJXPGXXQBFKH-UHFFFAOYSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
[3-(4-fluorophenyl)azepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 90608723
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone (CID 121184137) is (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone is CN1CCCC(C(=O)N2CCC(=C3CC3)CC2)C1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone?
The InChIKey is BZUJXPGXXQBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-8-2-3-14(11-16)15(18)17-9-6-13(7-10-17)12-4-5-12/h14H,2-11H2,1H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 121184137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).