(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C18H25Cl2N3O2 — CID 120632507

IUPAC(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccccc3Cl)C2=O)CCN1.Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c1-12-11-13(7-9-20-12)17(23)21(2)16-8-10-22(18(16)24)15-6-4-3-5-14(15)19;/h3-6,12-13,16,20H,7-11H2,1-2H3;1H/t12-,13-,16?;/m0./s1
InChIKeyIALJOJCTMZCUAR-QRCJTTKQSA-N
MW386.32 g/mol
LogP2.71
Rot. Bonds3

About (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120632507) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120632507
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccccc3Cl)C2=O)CCN1.Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c1-12-11-13(7-9-20-12)17(23)21(2)16-8-10-22(18(16)24)15-6-4-3-5-14(15)19;/h3-6,12-13,16,20H,7-11H2,1-2H3;1H/t12-,13-,16?;/m0./s1
InChIKeyIALJOJCTMZCUAR-QRCJTTKQSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119323451
(2R,3S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932424
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-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
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
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556916
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120632507) is (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccccc3Cl)C2=O)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IALJOJCTMZCUAR-QRCJTTKQSA-N. The full InChI is InChI=1S/C18H24ClN3O2.ClH/c1-12-11-13(7-9-20-12)17(23)21(2)16-8-10-22(18(16)24)15-6-4-3-5-14(15)19;/h3-6,12-13,16,20H,7-11H2,1-2H3;1H/t12-,13-,16?;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).