3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one

C18H23Cl2N3O2 — CID 154841105

IUPAC3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one
SMILESNCCC1CCCN(C(=O)C2CCN(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-13-3-4-15(20)16(10-13)23-9-6-14(18(23)25)17(24)22-8-1-2-12(11-22)5-7-21/h3-4,10,12,14H,1-2,5-9,11,21H2
InChIKeySVHCHAVKJSBRHB-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.93
Rot. Bonds4

About 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one

3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one (PubChem CID 154841105) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one
PubChem CID154841105
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one
SMILESNCCC1CCCN(C(=O)C2CCN(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-13-3-4-15(20)16(10-13)23-9-6-14(18(23)25)17(24)22-8-1-2-12(11-22)5-7-21/h3-4,10,12,14H,1-2,5-9,11,21H2
InChIKeySVHCHAVKJSBRHB-UHFFFAOYSA-N
XLogP2.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110903002
2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119171907
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 120727640
1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide
CID 142153821
3-[(3S)-1-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124694731
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79212624
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one (CID 154841105) is 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one is NCCC1CCCN(C(=O)C2CCN(c3cc(Cl)ccc3Cl)C2=O)C1.
What is the InChIKey of 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is SVHCHAVKJSBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-13-3-4-15(20)16(10-13)23-9-6-14(18(23)25)17(24)22-8-1-2-12(11-22)5-7-21/h3-4,10,12,14H,1-2,5-9,11,21H2.
What are the key properties of 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one?
3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 384.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 154841105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).