1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C18H26ClN3O3 — CID 119426905

IUPAC1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCCNC2)CC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-2-24-16-8-4-3-7-15(16)21-12-13(10-17(21)22)18(23)20-14-6-5-9-19-11-14;/h3-4,7-8,13-14,19H,2,5-6,9-12H2,1H3,(H,20,23);1H
InChIKeyWHCMGAZEQUBXRK-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.73
Rot. Bonds5

About 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119426905) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119426905
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCCNC2)CC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-2-24-16-8-4-3-7-15(16)21-12-13(10-17(21)22)18(23)20-14-6-5-9-19-11-14;/h3-4,7-8,13-14,19H,2,5-6,9-12H2,1H3,(H,20,23);1H
InChIKeyWHCMGAZEQUBXRK-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119424407
1-(2-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119425027
1-(2-ethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943263
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-butan-2-ylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119387824
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119426905) is 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is CCOc1ccccc1N1CC(C(=O)NC2CCCNC2)CC1=O.Cl.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WHCMGAZEQUBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-2-24-16-8-4-3-7-15(16)21-12-13(10-17(21)22)18(23)20-14-6-5-9-19-11-14;/h3-4,7-8,13-14,19H,2,5-6,9-12H2,1H3,(H,20,23);1H.
What are the key properties of 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119426905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).