2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

C22H29N3O4 — CID 42266860

IUPAC2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O4/c1-27-17-8-9-18(21(16-17)29-3)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-20(19)28-2/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyKHIPMELSNUKNCZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.26
Rot. Bonds8

About 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266860) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266860
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O4/c1-27-17-8-9-18(21(16-17)29-3)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-20(19)28-2/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyKHIPMELSNUKNCZ-UHFFFAOYSA-N
XLogP2.26
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
CID 11504230
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064693

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 42266860) is 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is KHIPMELSNUKNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-17-8-9-18(21(16-17)29-3)22(26)23-10-11-24-12-14-25(15-13-24)19-6-4-5-7-20(19)28-2/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).