N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C30H40ClN3O2 — CID 70100316

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCN1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccc3c(c2)CCC3)CC1=O.Cl
InChIInChI=1S/C30H39N3O2.ClH/c1-31-22-27(21-29(31)34)30(35)33(28-12-11-25-9-5-10-26(25)20-28)16-6-15-32-17-13-24(14-18-32)19-23-7-3-2-4-8-23;/h2-4,7-8,11-12,20,24,27H,5-6,9-10,13-19,21-22H2,1H3;1H
InChIKeyFOZCMQYATFITJG-UHFFFAOYSA-N
MW510.12 g/mol
LogP4.75
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 70100316) has the molecular formula C30H40ClN3O2 and a molecular weight of 510.12 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID70100316
Molecular FormulaC30H40ClN3O2
Molecular Weight510.12 g/mol
Exact Mass509.28
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCN1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccc3c(c2)CCC3)CC1=O.Cl
InChIInChI=1S/C30H39N3O2.ClH/c1-31-22-27(21-29(31)34)30(35)33(28-12-11-25-9-5-10-26(25)20-28)16-6-15-32-17-13-24(14-18-32)19-23-7-3-2-4-8-23;/h2-4,7-8,11-12,20,24,27H,5-6,9-10,13-19,21-22H2,1H3;1H
InChIKeyFOZCMQYATFITJG-UHFFFAOYSA-N
XLogP4.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.12
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982
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
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]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 515010
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
CID 3013679
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
CID 3013680
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70101068
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
N-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 139916265
N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 139916332
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(3-chlorophenyl)-1-phenylurea;hydrochloride
CID 22676695

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 70100316) is N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CN1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccc3c(c2)CCC3)CC1=O.Cl.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FOZCMQYATFITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2.ClH/c1-31-22-27(21-29(31)34)30(35)33(28-12-11-25-9-5-10-26(25)20-28)16-6-15-32-17-13-24(14-18-32)19-23-7-3-2-4-8-23;/h2-4,7-8,11-12,20,24,27H,5-6,9-10,13-19,21-22H2,1H3;1H.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 510.12 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 70100316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).