cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone

C19H28N2O3 — CID 110363777

IUPACcyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O3/c1-23-17-9-8-16(14-18(17)24-2)20-10-12-21(13-11-20)19(22)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyLBDPZLAEGNJGKO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.93
Rot. Bonds4

About cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 110363777) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
PubChem CID110363777
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namecyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H28N2O3/c1-23-17-9-8-16(14-18(17)24-2)20-10-12-21(13-11-20)19(22)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyLBDPZLAEGNJGKO-UHFFFAOYSA-N
XLogP2.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]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

cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108534070
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70276605
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110801591
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone (CID 110363777) is cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1OC.
What is the InChIKey of cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LBDPZLAEGNJGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-9-8-16(14-18(17)24-2)20-10-12-21(13-11-20)19(22)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110363777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).