(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C17H24N2O4 — CID 110708525

IUPAC(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-10-12(11-15(22-2)16(14)23-3)17(20)19-8-6-18(7-9-19)13-4-5-13/h10-11,13H,4-9H2,1-3H3
InChIKeyDVGZRSQTAYKNMZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.63
Rot. Bonds5

About (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110708525) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110708525
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-14-10-12(11-15(22-2)16(14)23-3)17(20)19-8-6-18(7-9-19)13-4-5-13/h10-11,13H,4-9H2,1-3H3
InChIKeyDVGZRSQTAYKNMZ-UHFFFAOYSA-N
XLogP1.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclopropylpiperazin-1-yl)-(3,4,5-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

(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
1-cyclopropyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 110720744
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153961
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584592
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110708525) is (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(C3CC3)CC2)cc(OC)c1OC.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DVGZRSQTAYKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-14-10-12(11-15(22-2)16(14)23-3)17(20)19-8-6-18(7-9-19)13-4-5-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110708525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).