1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119462684

IUPAC1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)NCC3CCCNC3)C2=O)c1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15;/h8-10,15,17,20H,3-7,11-12H2,1-2H3,(H,21,23);1H
InChIKeyOWNVNEYJQJNZMO-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.19
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119462684) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119462684
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(N2CCC(C(=O)NCC3CCCNC3)C2=O)c1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15;/h8-10,15,17,20H,3-7,11-12H2,1-2H3,(H,21,23);1H
InChIKeyOWNVNEYJQJNZMO-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
1-(3,5-dimethylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]piperidin-4-amine
CID 126443842
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
1-methyl-2-oxo-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119462684) is 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(N2CCC(C(=O)NCC3CCCNC3)C2=O)c1.Cl.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OWNVNEYJQJNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15;/h8-10,15,17,20H,3-7,11-12H2,1-2H3,(H,21,23);1H.
What are the key properties of 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119462684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).