4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C19H29N3O2 — CID 9003132

IUPAC4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCC[C@H]1CCCCN1C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H29N3O2/c1-4-17-7-5-6-12-22(17)18(23)14-21(3)13-15-8-10-16(11-9-15)19(24)20-2/h8-11,17H,4-7,12-14H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyGKPYLOSIINUENM-KRWDZBQOSA-N
MW331.46 g/mol
LogP2.27
Rot. Bonds6

About 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 9003132) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID9003132
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCC[C@H]1CCCCN1C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C19H29N3O2/c1-4-17-7-5-6-12-22(17)18(23)14-21(3)13-15-8-10-16(11-9-15)19(24)20-2/h8-11,17H,4-7,12-14H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyGKPYLOSIINUENM-KRWDZBQOSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide 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

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003128
3-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]piperidin-2-yl]propanoic acid
CID 91842017
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
methyl (2R)-4-[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]thiomorpholine-2-carboxylate
CID 9125645
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164380
1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 112815163
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
CID 2909948

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 9003132) is 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CC[C@H]1CCCCN1C(=O)CN(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is GKPYLOSIINUENM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-17-7-5-6-12-22(17)18(23)14-21(3)13-15-8-10-16(11-9-15)19(24)20-2/h8-11,17H,4-7,12-14H2,1-3H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9003132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).