N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

C20H24ClN3O2 — CID 3626837

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyDQVARXSGNFBPMB-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.90
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (PubChem CID 3626837) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
PubChem CID3626837
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyDQVARXSGNFBPMB-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, (4-(3-chlorophenyl)-1-piperazinyl)(4-methoxyphenyl)-
CID 585383
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
(2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648317
(2S)-2-{[4-(3-chlorophenyl)phenyl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648335
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
1-(3-Chlorophenyl)-4-(4-ethoxybenzoyl)piperazine
CID 597213
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
1-(5-Chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine
CID 1010103

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (CID 3626837) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
The InChIKey is DQVARXSGNFBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 3626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).