N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide

C29H35N3O3 — CID 139916275

IUPACN-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N(CCCN1CCC2(C=Cc3ccccc32)CC1)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C29H35N3O3/c1-30-21-23(20-27(30)33)28(34)32(25-10-5-6-11-26(25)35-2)17-7-16-31-18-14-29(15-19-31)13-12-22-8-3-4-9-24(22)29/h3-6,8-13,23H,7,14-21H2,1-2H3
InChIKeyIWZQJYRVNSKYJM-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.96
Rot. Bonds7

About N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide

N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 139916275) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID139916275
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N(CCCN1CCC2(C=Cc3ccccc32)CC1)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C29H35N3O3/c1-30-21-23(20-27(30)33)28(34)32(25-10-5-6-11-26(25)35-2)17-7-16-31-18-14-29(15-19-31)13-12-22-8-3-4-9-24(22)29/h3-6,8-13,23H,7,14-21H2,1-2H3
InChIKeyIWZQJYRVNSKYJM-UHFFFAOYSA-N
XLogP3.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916265
N-(2-methylphenyl)-5-oxo-1-(2-phenylethyl)-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916299
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-phenyl-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916258
tert-butyl 3-[phenyl(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 139916333
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-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
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-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982
1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 70100316

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide (CID 139916275) is N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide is COc1ccccc1N(CCCN1CCC2(C=Cc3ccccc32)CC1)C(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is IWZQJYRVNSKYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-30-21-23(20-27(30)33)28(34)32(25-10-5-6-11-26(25)35-2)17-7-16-31-18-14-29(15-19-31)13-12-22-8-3-4-9-24(22)29/h3-6,8-13,23H,7,14-21H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide?
N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 139916275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).