(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

C18H23NO4 — CID 121187010

IUPAC(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(=C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C18H23NO4/c1-21-15-7-6-14(16(22-2)17(15)23-3)18(20)19-10-8-13(9-11-19)12-4-5-12/h6-7H,4-5,8-11H2,1-3H3
InChIKeyKTDLTNJGBGOTMI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.04
Rot. Bonds4

About (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 121187010) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID121187010
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(=C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C18H23NO4/c1-21-15-7-6-14(16(22-2)17(15)23-3)18(20)19-10-8-13(9-11-19)12-4-5-12/h6-7H,4-5,8-11H2,1-3H3
InChIKeyKTDLTNJGBGOTMI-UHFFFAOYSA-N
XLogP3.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)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

azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(2S)-2-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119342570
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
3-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119342573
4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
4-(methylamino)-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 119816831
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(2,3,4-trimethoxyphenyl)methanone
CID 90510678

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 121187010) is (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(=C3CC3)CC2)c(OC)c1OC.
What is the InChIKey of (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is KTDLTNJGBGOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-15-7-6-14(16(22-2)17(15)23-3)18(20)19-10-8-13(9-11-19)12-4-5-12/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone?
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 121187010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).