[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid

C12H16ClN3O2 — CID 155227664

IUPAC[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
SMILESCN1CCN(c2ccc(Cl)c(NC(=O)O)c2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-15-4-6-16(7-5-15)9-2-3-10(13)11(8-9)14-12(17)18/h2-3,8,14H,4-7H2,1H3,(H,17,18)
InChIKeyZFFVUYUAJUXHRK-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.18
Rot. Bonds2

About [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid

[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid (PubChem CID 155227664) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
PubChem CID155227664
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
SMILESCN1CCN(c2ccc(Cl)c(NC(=O)O)c2)CC1
InChIInChI=1S/C12H16ClN3O2/c1-15-4-6-16(7-5-15)9-2-3-10(13)11(8-9)14-12(17)18/h2-3,8,14H,4-7H2,1H3,(H,17,18)
InChIKeyZFFVUYUAJUXHRK-UHFFFAOYSA-N
XLogP2.18
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid 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

2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid
CID 18542397
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
4-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperazine-1-carboxylic acid
CID 174687269
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
[5-(4-acetylpiperazin-1-yl)-2-aminophenyl]carbamic acid
CID 90426627
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 169360063
N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 118029333
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid?
The IUPAC name of [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid (CID 155227664) is [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid?
The canonical SMILES for [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid is CN1CCN(c2ccc(Cl)c(NC(=O)O)c2)CC1.
What is the InChIKey of [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid?
The InChIKey is ZFFVUYUAJUXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15-4-6-16(7-5-15)9-2-3-10(13)11(8-9)14-12(17)18/h2-3,8,14H,4-7H2,1H3,(H,17,18).
What are the key properties of [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid?
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid has a molecular weight of 269.73 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid is sourced from PubChem (CID 155227664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).