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

C18H22ClN3O3 — CID 136523895

IUPAC3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O3/c19-14-4-1-3-13(11-14)18(25)20-12-17(24)21-9-6-15(7-10-21)22-8-2-5-16(22)23/h1,3-4,11,15H,2,5-10,12H2,(H,20,25)
InChIKeyZNEWDISFMPCABD-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.68
Rot. Bonds4

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

3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 136523895) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID136523895
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O3/c19-14-4-1-3-13(11-14)18(25)20-12-17(24)21-9-6-15(7-10-21)22-8-2-5-16(22)23/h1,3-4,11,15H,2,5-10,12H2,(H,20,25)
InChIKeyZNEWDISFMPCABD-UHFFFAOYSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088
3-chloro-N-[2-oxo-2-[2-(2-oxoazepan-1-yl)ethylamino]ethyl]benzamide
CID 55694248
1-[1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 154747804
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 136515348
3-chloro-4-hydroxy-N-[2-oxo-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 143675119

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide (CID 136523895) is 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is ZNEWDISFMPCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-14-4-1-3-13(11-14)18(25)20-12-17(24)21-9-6-15(7-10-21)22-8-2-5-16(22)23/h1,3-4,11,15H,2,5-10,12H2,(H,20,25).
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 363.85 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 136523895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).