ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate

C17H24N2O3 — CID 41455579

IUPACethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)19-12-10-18(11-13-19)16(20)9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyKQYKPMXBOVXISB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.23
Rot. Bonds4

About ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate (PubChem CID 41455579) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
PubChem CID41455579
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)19-12-10-18(11-13-19)16(20)9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyKQYKPMXBOVXISB-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate 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

3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
CID 6735988
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547860
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 110750495
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate (CID 41455579) is ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate?
The InChIKey is KQYKPMXBOVXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)19-12-10-18(11-13-19)16(20)9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 41455579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).