4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane

C18H29N3O4 — CID 159691035

IUPAC4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane
SMILESC.CC(=O)OCc1ccccc1.CNC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C9H10O2.C8H15N3O2.CH4/c1-8(10)11-7-9-5-3-2-4-6-9;1-7(12)10-3-5-11(6-4-10)8(13)9-2;/h2-6H,7H2,1H3;3-6H2,1-2H3,(H,9,13);1H4
InChIKeyMWKKLLQTNOOHOK-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.88
Rot. Bonds2

About 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane

4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane (PubChem CID 159691035) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane.

Molecular Properties

Compound Name4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane
PubChem CID159691035
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane
SMILESC.CC(=O)OCc1ccccc1.CNC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C9H10O2.C8H15N3O2.CH4/c1-8(10)11-7-9-5-3-2-4-6-9;1-7(12)10-3-5-11(6-4-10)8(13)9-2;/h2-6H,7H2,1H3;3-6H2,1-2H3,(H,9,13);1H4
InChIKeyMWKKLLQTNOOHOK-UHFFFAOYSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane 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

benzyl acetate
CID 8785
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;formonitrile
CID 175329925
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
benzyl acetate;carbon monoxide;chromium
CID 11196913
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl acetate;dodecane
CID 138609592

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane?
The IUPAC name of 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane (CID 159691035) is 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane.
What is the SMILES notation for 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane?
The canonical SMILES for 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane is C.CC(=O)OCc1ccccc1.CNC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane?
The InChIKey is MWKKLLQTNOOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C8H15N3O2.CH4/c1-8(10)11-7-9-5-3-2-4-6-9;1-7(12)10-3-5-11(6-4-10)8(13)9-2;/h2-6H,7H2,1H3;3-6H2,1-2H3,(H,9,13);1H4.
What are the key properties of 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane?
4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane has a molecular weight of 351.45 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane is sourced from PubChem (CID 159691035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).