3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate

C18H25N2O3- — CID 6926722

IUPAC3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-18(2,13-17(22)23)12-16(21)19-14-8-4-5-9-15(14)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)(H,22,23)/p-1
InChIKeyZRWHJXWOTJWLCY-UHFFFAOYSA-M
MW317.41 g/mol
LogP2.17
Rot. Bonds6

About 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate

3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate (PubChem CID 6926722) has the molecular formula C18H25N2O3- and a molecular weight of 317.41 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
PubChem CID6926722
Molecular FormulaC18H25N2O3-
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-18(2,13-17(22)23)12-16(21)19-14-8-4-5-9-15(14)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)(H,22,23)/p-1
InChIKeyZRWHJXWOTJWLCY-UHFFFAOYSA-M
XLogP2.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-piperidin-1-ylphenyl)urea
CID 111754335
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
tert-butyl N-[4-oxo-4-(2-piperidin-1-ylanilino)butyl]carbamate
CID 60620853
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 111754331
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 103028843

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate?
The IUPAC name of 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate (CID 6926722) is 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate is CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate?
The InChIKey is ZRWHJXWOTJWLCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,13-17(22)23)12-16(21)19-14-8-4-5-9-15(14)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)(H,22,23)/p-1.
What are the key properties of 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate?
3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate has a molecular weight of 317.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate is sourced from PubChem (CID 6926722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).