4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide

C21H31ClN2O3 — CID 75452786

IUPAC4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide
SMILESCC1CCN(CC(O)CNC(=O)C(C)(C)CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O3/c1-15-8-10-24(11-9-15)14-18(25)13-23-20(27)21(2,3)12-19(26)16-4-6-17(22)7-5-16/h4-7,15,18,25H,8-14H2,1-3H3,(H,23,27)
InChIKeyXBKNQAFYCNOLTC-UHFFFAOYSA-N
MW394.94 g/mol
LogP3.15
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide

4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide (PubChem CID 75452786) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide
PubChem CID75452786
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide
SMILESCC1CCN(CC(O)CNC(=O)C(C)(C)CC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O3/c1-15-8-10-24(11-9-15)14-18(25)13-23-20(27)21(2,3)12-19(26)16-4-6-17(22)7-5-16/h4-7,15,18,25H,8-14H2,1-3H3,(H,23,27)
InChIKeyXBKNQAFYCNOLTC-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide with MolForge

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Related Compounds

2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
5-chloro-2-[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]benzonitrile
CID 133337915
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide (CID 75452786) is 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide is CC1CCN(CC(O)CNC(=O)C(C)(C)CC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide?
The InChIKey is XBKNQAFYCNOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c1-15-8-10-24(11-9-15)14-18(25)13-23-20(27)21(2,3)12-19(26)16-4-6-17(22)7-5-16/h4-7,15,18,25H,8-14H2,1-3H3,(H,23,27).
What are the key properties of 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide?
4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide has a molecular weight of 394.94 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 75452786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).