N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide

C22H33N3O5 — CID 39953095

IUPACN-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCN(C(=O)CCCNC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H33N3O5/c1-28-18-9-8-17(20(29-2)21(18)30-3)15-24-11-13-25(14-12-24)19(26)5-4-10-23-22(27)16-6-7-16/h8-9,16H,4-7,10-15H2,1-3H3,(H,23,27)
InChIKeyCUHZWSFFJFLZQX-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.66
Rot. Bonds10

About N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide

N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide (PubChem CID 39953095) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
PubChem CID39953095
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC NameN-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCN(C(=O)CCCNC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H33N3O5/c1-28-18-9-8-17(20(29-2)21(18)30-3)15-24-11-13-25(14-12-24)19(26)5-4-10-23-22(27)16-6-7-16/h8-9,16H,4-7,10-15H2,1-3H3,(H,23,27)
InChIKeyCUHZWSFFJFLZQX-UHFFFAOYSA-N
XLogP1.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide 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

N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46483004
4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 31606677
N-[4-(4-benzyl-1,4-diazepan-1-yl)-4-oxobutyl]cyclopropanecarboxamide
CID 46429504
4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55826511
oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 126469036
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 9069712
[(2R)-pyrrolidin-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 57148141

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide (CID 39953095) is N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide is COc1ccc(CN2CCN(C(=O)CCCNC(=O)C3CC3)CC2)c(OC)c1OC.
What is the InChIKey of N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide?
The InChIKey is CUHZWSFFJFLZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-28-18-9-8-17(20(29-2)21(18)30-3)15-24-11-13-25(14-12-24)19(26)5-4-10-23-22(27)16-6-7-16/h8-9,16H,4-7,10-15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide?
N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide has a molecular weight of 419.52 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide is sourced from PubChem (CID 39953095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).