(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide

C19H29N3O2 — CID 25466162

IUPAC(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](C)C1
InChIInChI=1S/C19H29N3O2/c1-13-7-6-10-22(12-13)16(4)19(24)20-11-17(23)21-18-14(2)8-5-9-15(18)3/h5,8-9,13,16H,6-7,10-12H2,1-4H3,(H,20,24)(H,21,23)/t13-,16+/m1/s1
InChIKeyMGGAEPAGQRQQEJ-CJNGLKHVSA-N
MW331.46 g/mol
LogP2.48
Rot. Bonds5

About (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide (PubChem CID 25466162) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
PubChem CID25466162
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](C)C1
InChIInChI=1S/C19H29N3O2/c1-13-7-6-10-22(12-13)16(4)19(24)20-11-17(23)21-18-14(2)8-5-9-15(18)3/h5,8-9,13,16H,6-7,10-12H2,1-4H3,(H,20,24)(H,21,23)/t13-,16+/m1/s1
InChIKeyMGGAEPAGQRQQEJ-CJNGLKHVSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42915661
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27633039
(2R)-2-(4-acetylpiperazin-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9033789
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9034770
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
CID 11924348
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 42913625

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide (CID 25466162) is (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](C)C1.
What is the InChIKey of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is MGGAEPAGQRQQEJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-7-6-10-22(12-13)16(4)19(24)20-11-17(23)21-18-14(2)8-5-9-15(18)3/h5,8-9,13,16H,6-7,10-12H2,1-4H3,(H,20,24)(H,21,23)/t13-,16+/m1/s1.
What are the key properties of (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 25466162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).