N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride

C17H23Cl2N3O2 — CID 119323451

IUPACN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCCN1)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-20(16(22)13-7-4-5-10-19-13)15-9-11-21(17(15)23)14-8-3-2-6-12(14)18;/h2-3,6,8,13,15,19H,4-5,7,9-11H2,1H3;1H
InChIKeyHOBUMKQQKCBGJI-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119323451) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119323451
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCCN1)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-20(16(22)13-7-4-5-10-19-13)15-9-11-21(17(15)23)14-8-3-2-6-12(14)18;/h2-3,6,8,13,15,19H,4-5,7,9-11H2,1H3;1H
InChIKeyHOBUMKQQKCBGJI-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120632507
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556916
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119323451) is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(C(=O)C1CCCCN1)C1CCN(c2ccccc2Cl)C1=O.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is HOBUMKQQKCBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c1-20(16(22)13-7-4-5-10-19-13)15-9-11-21(17(15)23)14-8-3-2-6-12(14)18;/h2-3,6,8,13,15,19H,4-5,7,9-11H2,1H3;1H.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride?
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119323451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).