(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate

C24H25ClN4O2 — CID 171824774

IUPAC(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
SMILESO=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c25-21-8-4-20(5-9-21)18-31-24(30)27-22-10-6-19(7-11-22)17-28-13-15-29(16-14-28)23-3-1-2-12-26-23/h1-12H,13-18H2,(H,27,30)
InChIKeyLPPMYYRTOHPUTD-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.81
Rot. Bonds6

About (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate (PubChem CID 171824774) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
PubChem CID171824774
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
SMILESO=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c25-21-8-4-20(5-9-21)18-31-24(30)27-22-10-6-19(7-11-22)17-28-13-15-29(16-14-28)23-3-1-2-12-26-23/h1-12H,13-18H2,(H,27,30)
InChIKeyLPPMYYRTOHPUTD-UHFFFAOYSA-N
XLogP4.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate 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

(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824521
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902638
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
4-(4-chloroanilino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 53370115
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86941603
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
[4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate
CID 11386471

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate (CID 171824774) is (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate is O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The InChIKey is LPPMYYRTOHPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-21-8-4-20(5-9-21)18-31-24(30)27-22-10-6-19(7-11-22)17-28-13-15-29(16-14-28)23-3-1-2-12-26-23/h1-12H,13-18H2,(H,27,30).
What are the key properties of (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate has a molecular weight of 436.94 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 171824774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).