methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate

C16H24N4O3 — CID 136571796

IUPACmethyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate
SMILESCCN1CCN(C(=O)Nc2cccc(NC(=O)OC)c2)C(C)C1
InChIInChI=1S/C16H24N4O3/c1-4-19-8-9-20(12(2)11-19)15(21)17-13-6-5-7-14(10-13)18-16(22)23-3/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHIPBWHXCNISJKC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.42
Rot. Bonds3

About methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate

methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate (PubChem CID 136571796) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate
PubChem CID136571796
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemethyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate
SMILESCCN1CCN(C(=O)Nc2cccc(NC(=O)OC)c2)C(C)C1
InChIInChI=1S/C16H24N4O3/c1-4-19-8-9-20(12(2)11-19)15(21)17-13-6-5-7-14(10-13)18-16(22)23-3/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHIPBWHXCNISJKC-UHFFFAOYSA-N
XLogP2.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 166231411
ethyl (6S)-3-ethyl-6-(3-methoxyphenyl)-4-[[(3R)-3-methyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93144237
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42695544
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
2-methylpropyl N-[3-[[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]amino]phenyl]carbamate
CID 167783612
4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 71846830
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012
4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
CID 71846805
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710452
2-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 134584835
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate (CID 136571796) is methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate is CCN1CCN(C(=O)Nc2cccc(NC(=O)OC)c2)C(C)C1.
What is the InChIKey of methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate?
The InChIKey is HIPBWHXCNISJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-19-8-9-20(12(2)11-19)15(21)17-13-6-5-7-14(10-13)18-16(22)23-3/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate?
methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 136571796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).