1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C17H22Cl3N3O2 — CID 119564050

IUPAC1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1.Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c1-20-14-2-4-21(5-3-14)17(24)11-6-16(23)22(10-11)15-8-12(18)7-13(19)9-15;/h7-9,11,14,20H,2-6,10H2,1H3;1H
InChIKeyWJRCHLYGFJMTTC-UHFFFAOYSA-N
MW406.74 g/mol
LogP2.98
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119564050) has the molecular formula C17H22Cl3N3O2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119564050
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.74 g/mol
Exact Mass405.08
IUPAC Name1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1.Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c1-20-14-2-4-21(5-3-14)17(24)11-6-16(23)22(10-11)15-8-12(18)7-13(19)9-15;/h7-9,11,14,20H,2-6,10H2,1H3;1H
InChIKeyWJRCHLYGFJMTTC-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562198
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119564050) is 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CNC1CCN(C(=O)C2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1.Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is WJRCHLYGFJMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2.ClH/c1-20-14-2-4-21(5-3-14)17(24)11-6-16(23)22(10-11)15-8-12(18)7-13(19)9-15;/h7-9,11,14,20H,2-6,10H2,1H3;1H.
What are the key properties of 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 406.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119564050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).