3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide

C18H24ClN3O3 — CID 143675119

IUPAC3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCCCC2)C1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H24ClN3O3/c19-15-10-13(4-5-16(15)23)18(25)20-11-17(24)22-9-6-14(12-22)21-7-2-1-3-8-21/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,25)
InChIKeyUWPALCMODYMBCO-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.86
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide

3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide (PubChem CID 143675119) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
PubChem CID143675119
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCCCC2)C1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H24ClN3O3/c19-15-10-13(4-5-16(15)23)18(25)20-11-17(24)22-9-6-14(12-22)21-7-2-1-3-8-21/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,25)
InChIKeyUWPALCMODYMBCO-UHFFFAOYSA-N
XLogP1.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764910
3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764905
3,4-dichloro-N-[2-[3-[3-(5-fluorocyclohexa-1,3-dien-1-yl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 71098871
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-ethoxybenzamide
CID 136579673
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide (CID 143675119) is 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCC(N2CCCCC2)C1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide?
The InChIKey is UWPALCMODYMBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-15-10-13(4-5-16(15)23)18(25)20-11-17(24)22-9-6-14(12-22)21-7-2-1-3-8-21/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,25).
What are the key properties of 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 143675119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).