1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 120553985

IUPAC1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-17-8-9-20-11-13(17)2;/h4-7,13,15,17,20H,3,8-12H2,1-2H3,(H,21,24);1H
InChIKeyOAWAFKCBDXIWRO-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120553985) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120553985
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-17-8-9-20-11-13(17)2;/h4-7,13,15,17,20H,3,8-12H2,1-2H3,(H,21,24);1H
InChIKeyOAWAFKCBDXIWRO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120554310
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558971
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120553985) is 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OAWAFKCBDXIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-3-14-4-6-16(7-5-14)22-12-15(10-18(22)23)19(24)21-17-8-9-20-11-13(17)2;/h4-7,13,15,17,20H,3,8-12H2,1-2H3,(H,21,24);1H.
What are the key properties of 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120553985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).