2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide

C24H31N3O2 — CID 46476029

IUPAC2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C24H31N3O2/c1-18-7-3-4-9-22(18)24(29)26-16-23(28)25-15-20-10-12-21(13-11-20)17-27-14-6-5-8-19(27)2/h3-4,7,9-13,19H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUUWTYBOKLBJIRQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.42
Rot. Bonds7

About 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide

2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 46476029) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID46476029
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C24H31N3O2/c1-18-7-3-4-9-22(18)24(29)26-16-23(28)25-15-20-10-12-21(13-11-20)17-27-14-6-5-8-19(27)2/h3-4,7,9-13,19H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUUWTYBOKLBJIRQ-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 75880230
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 55857919
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 51165990
2-N,2-N,6-trimethyl-5-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86891529
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide (CID 46476029) is 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NCc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is UUWTYBOKLBJIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-7-3-4-9-22(18)24(29)26-16-23(28)25-15-20-10-12-21(13-11-20)17-27-14-6-5-8-19(27)2/h3-4,7,9-13,19H,5-6,8,14-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide?
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46476029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).