3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one

C16H25NO — CID 121187051

IUPAC3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H25NO/c18-16(8-5-13-3-1-2-4-13)17-11-9-15(10-12-17)14-6-7-14/h13H,1-12H2
InChIKeyIEANYNCJYNNDTL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds3

About 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one

3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one (PubChem CID 121187051) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
PubChem CID121187051
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C16H25NO/c18-16(8-5-13-3-1-2-4-13)17-11-9-15(10-12-17)14-6-7-14/h13H,1-12H2
InChIKeyIEANYNCJYNNDTL-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
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

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 51124376
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one (CID 121187051) is 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one is O=C(CCC1CCCC1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one?
The InChIKey is IEANYNCJYNNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(8-5-13-3-1-2-4-13)17-11-9-15(10-12-17)14-6-7-14/h13H,1-12H2.
What are the key properties of 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 121187051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).