N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

C28H33Cl2N3O2 — CID 139916265

IUPACN-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCN1CC(C(=O)N(CCCN2CCC3(C=Cc4ccccc43)CC2)c2cccc(Cl)c2)CC1=O.Cl
InChIInChI=1S/C28H32ClN3O2.ClH/c1-30-20-22(18-26(30)33)27(34)32(24-8-4-7-23(29)19-24)15-5-14-31-16-12-28(13-17-31)11-10-21-6-2-3-9-25(21)28;/h2-4,6-11,19,22H,5,12-18,20H2,1H3;1H
InChIKeyYVJDQDWOLIOTPM-UHFFFAOYSA-N
MW514.50 g/mol
LogP5.02
Rot. Bonds6

About N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride

N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 139916265) has the molecular formula C28H33Cl2N3O2 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID139916265
Molecular FormulaC28H33Cl2N3O2
Molecular Weight514.50 g/mol
Exact Mass513.19
IUPAC NameN-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCN1CC(C(=O)N(CCCN2CCC3(C=Cc4ccccc43)CC2)c2cccc(Cl)c2)CC1=O.Cl
InChIInChI=1S/C28H32ClN3O2.ClH/c1-30-20-22(18-26(30)33)27(34)32(24-8-4-7-23(29)19-24)15-5-14-31-16-12-28(13-17-31)11-10-21-6-2-3-9-25(21)28;/h2-4,6-11,19,22H,5,12-18,20H2,1H3;1H
InChIKeyYVJDQDWOLIOTPM-UHFFFAOYSA-N
XLogP5.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
CID 139916275
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-phenyl-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916258
N-(2-methylphenyl)-5-oxo-1-(2-phenylethyl)-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916299
tert-butyl 3-[phenyl(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 139916333
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70100097
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70101068
but-2-enedioic acid;1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70100100
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 70100316
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75468522
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride (CID 139916265) is N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is CN1CC(C(=O)N(CCCN2CCC3(C=Cc4ccccc43)CC2)c2cccc(Cl)c2)CC1=O.Cl.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YVJDQDWOLIOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2.ClH/c1-30-20-22(18-26(30)33)27(34)32(24-8-4-7-23(29)19-24)15-5-14-31-16-12-28(13-17-31)11-10-21-6-2-3-9-25(21)28;/h2-4,6-11,19,22H,5,12-18,20H2,1H3;1H.
What are the key properties of N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 514.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 139916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).