N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

C22H34N4O3 — CID 112811168

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-18-6-4-5-7-20(18)16-23(3)22(28)19(2)25-10-8-24(9-11-25)17-21(27)26-12-14-29-15-13-26/h4-7,19H,8-17H2,1-3H3
InChIKeyCOXBAHQFDRDHKV-UHFFFAOYSA-N
MW402.54 g/mol
LogP0.82
Rot. Bonds6

About N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide

N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (PubChem CID 112811168) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
PubChem CID112811168
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-18-6-4-5-7-20(18)16-23(3)22(28)19(2)25-10-8-24(9-11-25)17-21(27)26-12-14-29-15-13-26/h4-7,19H,8-17H2,1-3H3
InChIKeyCOXBAHQFDRDHKV-UHFFFAOYSA-N
XLogP0.82
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)propanamide
CID 112843115
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 111543826
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78821861
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112810869
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide (CID 112811168) is N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is Cc1ccccc1CN(C)C(=O)C(C)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
The InChIKey is COXBAHQFDRDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-18-6-4-5-7-20(18)16-23(3)22(28)19(2)25-10-8-24(9-11-25)17-21(27)26-12-14-29-15-13-26/h4-7,19H,8-17H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 112811168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).