1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 120573725

IUPAC1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(N2CC(C(=O)NC3CCCNC3C)CC2=O)c1C.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-6-4-8-17(13(12)2)22-11-15(10-18(22)23)19(24)21-16-7-5-9-20-14(16)3;/h4,6,8,14-16,20H,5,7,9-11H2,1-3H3,(H,21,24);1H
InChIKeyGYTHNASEYNNVPX-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.33
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120573725) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120573725
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(N2CC(C(=O)NC3CCCNC3C)CC2=O)c1C.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-6-4-8-17(13(12)2)22-11-15(10-18(22)23)19(24)21-16-7-5-9-20-14(16)3;/h4,6,8,14-16,20H,5,7,9-11H2,1-3H3,(H,21,24);1H
InChIKeyGYTHNASEYNNVPX-UHFFFAOYSA-N
XLogP2.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 124833954
N-(2-methylpiperidin-3-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120577714
N-(2-methylpiperidin-3-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577163
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539
1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577525
1-[(4-methylphenyl)methyl]-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120574389
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120573725) is 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is Cc1cccc(N2CC(C(=O)NC3CCCNC3C)CC2=O)c1C.Cl.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GYTHNASEYNNVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-12-6-4-8-17(13(12)2)22-11-15(10-18(22)23)19(24)21-16-7-5-9-20-14(16)3;/h4,6,8,14-16,20H,5,7,9-11H2,1-3H3,(H,21,24);1H.
What are the key properties of 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120573725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).