(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone

C18H23NO — CID 121186842

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-14-4-6-17(7-5-14)18(20)19-12-10-16(11-13-19)15-8-9-15/h4-7H,2-3,8-13H2,1H3
InChIKeyMOZOILTUBAKYDJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.97
Rot. Bonds3

About (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone (PubChem CID 121186842) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
PubChem CID121186842
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-14-4-6-17(7-5-14)18(20)19-12-10-16(11-13-19)15-8-9-15/h4-7H,2-3,8-13H2,1H3
InChIKeyMOZOILTUBAKYDJ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
CID 52755296
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 47719992
(4-propylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816607
2-(1-methylpyrrol-3-yl)-1-[4-(4-propylbenzoyl)piperazin-1-yl]ethanone
CID 110815077
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone (CID 121186842) is (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCC(=C3CC3)CC2)cc1.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone?
The InChIKey is MOZOILTUBAKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-14-4-6-17(7-5-14)18(20)19-12-10-16(11-13-19)15-8-9-15/h4-7H,2-3,8-13H2,1H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone has a molecular weight of 269.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 121186842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).