[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

C19H30N3O2+ — CID 9003128

IUPAC[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCC[C@@H]1CCCCN1C(=O)C[NH+](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)/p+1/t17-/m1/s1
InChIKeyGKPYLOSIINUENM-QGZVFWFLSA-O
MW332.47 g/mol
LogP0.85
Rot. Bonds6

About [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (PubChem CID 9003128) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
PubChem CID9003128
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCC[C@@H]1CCCCN1C(=O)C[NH+](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)/p+1/t17-/m1/s1
InChIKeyGKPYLOSIINUENM-QGZVFWFLSA-O
XLogP0.85
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003132
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003332
[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8842566
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
1-(2-ethylpiperidin-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110295013
4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
CID 2909948
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8790340
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (CID 9003128) is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is CC[C@@H]1CCCCN1C(=O)C[NH+](C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is GKPYLOSIINUENM-QGZVFWFLSA-O. 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)/p+1/t17-/m1/s1.
What are the key properties of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 332.47 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 9003128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).