N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide

C21H31N3O3 — CID 136577829

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-17-4-2-3-5-18(17)16-23-10-8-19(9-11-23)22-20(25)6-7-21(26)24-12-14-27-15-13-24/h2-5,19H,6-16H2,1H3,(H,22,25)
InChIKeyZMOPKZUNNIAZEH-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.71
Rot. Bonds6

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 136577829) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID136577829
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccccc1CN1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-17-4-2-3-5-18(17)16-23-10-8-19(9-11-23)22-20(25)6-7-21(26)24-12-14-27-15-13-24/h2-5,19H,6-16H2,1H3,(H,22,25)
InChIKeyZMOPKZUNNIAZEH-UHFFFAOYSA-N
XLogP1.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide 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-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-oxobutanamide
CID 56567588
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N'-(2-cyanoethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N'-phenylbutanediamide
CID 56505702
4-(2-bromophenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55866230
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 136577829) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide is Cc1ccccc1CN1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is ZMOPKZUNNIAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17-4-2-3-5-18(17)16-23-10-8-19(9-11-23)22-20(25)6-7-21(26)24-12-14-27-15-13-24/h2-5,19H,6-16H2,1H3,(H,22,25).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 373.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 136577829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).