(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide

C19H28N4O3 — CID 8793721

IUPAC(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H28N4O3/c1-13-6-4-7-14(2)18(13)21-16(24)11-22(3)12-17(25)23-9-5-8-15(10-23)19(20)26/h4,6-7,15H,5,8-12H2,1-3H3,(H2,20,26)(H,21,24)/t15-/m0/s1
InChIKeyJXJIZWVLTNUFRZ-HNNXBMFYSA-N
MW360.46 g/mol
LogP0.90
Rot. Bonds6

About (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide

(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide (PubChem CID 8793721) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
PubChem CID8793721
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H28N4O3/c1-13-6-4-7-14(2)18(13)21-16(24)11-22(3)12-17(25)23-9-5-8-15(10-23)19(20)26/h4,6-7,15H,5,8-12H2,1-3H3,(H2,20,26)(H,21,24)/t15-/m0/s1
InChIKeyJXJIZWVLTNUFRZ-HNNXBMFYSA-N
XLogP0.90
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide 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

(3S)-1-[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8815954
ethyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanoyl]piperidine-3-carboxylate
CID 55525439
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 31936453
2-[cyclopropyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84562381
methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60965870
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
2-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 40817160
N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8793749

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide (CID 8793721) is (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide?
The InChIKey is JXJIZWVLTNUFRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-6-4-7-14(2)18(13)21-16(24)11-22(3)12-17(25)23-9-5-8-15(10-23)19(20)26/h4,6-7,15H,5,8-12H2,1-3H3,(H2,20,26)(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide?
(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 8793721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).