2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide

C20H31N3O3 — CID 55842838

IUPAC2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2ccc(C(C)C)cc2O)CC1
InChIInChI=1S/C20H31N3O3/c1-4-9-21-19(25)13-23-10-7-16(8-11-23)22-20(26)17-6-5-15(14(2)3)12-18(17)24/h5-6,12,14,16,24H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVWHWTIAGUZZXSH-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.24
Rot. Bonds7

About 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide

2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide (PubChem CID 55842838) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
PubChem CID55842838
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2ccc(C(C)C)cc2O)CC1
InChIInChI=1S/C20H31N3O3/c1-4-9-21-19(25)13-23-10-7-16(8-11-23)22-20(26)17-6-5-15(14(2)3)12-18(17)24/h5-6,12,14,16,24H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVWHWTIAGUZZXSH-UHFFFAOYSA-N
XLogP2.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide 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

N-cyclopentyl-2-hydroxy-4-propan-2-ylbenzamide
CID 47268168
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
4-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565279
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119853534
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
1-ethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 55959738

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide (CID 55842838) is 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide is CCCNC(=O)CN1CCC(NC(=O)c2ccc(C(C)C)cc2O)CC1.
What is the InChIKey of 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is VWHWTIAGUZZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-9-21-19(25)13-23-10-7-16(8-11-23)22-20(26)17-6-5-15(14(2)3)12-18(17)24/h5-6,12,14,16,24H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide?
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 55842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).