N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide

C22H28N4O2 — CID 8597810

IUPACN-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)16-21(27)24-20-8-6-19(7-9-20)22(28)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPPBCMQSFLUTIID-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide

N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 8597810) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID8597810
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)16-21(27)24-20-8-6-19(7-9-20)22(28)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPPBCMQSFLUTIID-UHFFFAOYSA-N
XLogP2.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
N-(3-chloro-4-cyanophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46807779
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 8597810) is N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is PPBCMQSFLUTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-4-3-5-18(14-17)15-25-10-12-26(13-11-25)16-21(27)24-20-8-6-19(7-9-20)22(28)23-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8597810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).