[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate

C16H23N3O4 — CID 142022851

IUPAC[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
SMILESCNC(=O)OCc1ccccc1COC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O4/c1-17-15(20)22-11-13-5-3-4-6-14(13)12-23-16(21)19-9-7-18(2)8-10-19/h3-6H,7-12H2,1-2H3,(H,17,20)
InChIKeyZXNSCNRBLQXIPQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.43
Rot. Bonds4

About [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate

[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate (PubChem CID 142022851) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
PubChem CID142022851
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate
SMILESCNC(=O)OCc1ccccc1COC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O4/c1-17-15(20)22-11-13-5-3-4-6-14(13)12-23-16(21)19-9-7-18(2)8-10-19/h3-6H,7-12H2,1-2H3,(H,17,20)
InChIKeyZXNSCNRBLQXIPQ-UHFFFAOYSA-N
XLogP1.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
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bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432
benzyl aziridine-1-carboxylate;silane
CID 158496499
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
[2-(trifluoromethyl)phenyl]methyl 4-pentylpiperazine-1-carboxylate
CID 91201426
(2-fluorophenyl)methyl 4-butan-2-ylpiperazine-1-carboxylate
CID 174474103
(2,3-dichlorophenyl)methyl 4-ethylpiperazine-1-carboxylate
CID 91805200
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate (CID 142022851) is [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate is CNC(=O)OCc1ccccc1COC(=O)N1CCN(C)CC1.
What is the InChIKey of [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate?
The InChIKey is ZXNSCNRBLQXIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-17-15(20)22-11-13-5-3-4-6-14(13)12-23-16(21)19-9-7-18(2)8-10-19/h3-6H,7-12H2,1-2H3,(H,17,20).
What are the key properties of [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate?
[2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyloxymethyl)phenyl]methyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 142022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).