1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide

C35H37N3O2 — CID 54014877

IUPAC1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc4ccccc4c3)CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C35H37N3O2/c36-33(40)35(30-13-5-2-6-14-30)18-21-37(22-19-35)20-17-34(31-16-15-28-11-7-8-12-29(28)23-31)24-32(39)38(26-34)25-27-9-3-1-4-10-27/h1-16,23H,17-22,24-26H2,(H2,36,40)
InChIKeyKUXVNKZGTDECST-UHFFFAOYSA-N
MW531.70 g/mol
LogP5.42
Rot. Bonds8

About 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide

1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 54014877) has the molecular formula C35H37N3O2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID54014877
Molecular FormulaC35H37N3O2
Molecular Weight531.70 g/mol
Exact Mass531.29
IUPAC Name1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc4ccccc4c3)CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C35H37N3O2/c36-33(40)35(30-13-5-2-6-14-30)18-21-37(22-19-35)20-17-34(31-16-15-28-11-7-8-12-29(28)23-31)24-32(39)38(26-34)25-27-9-3-1-4-10-27/h1-16,23H,17-22,24-26H2,(H2,36,40)
InChIKeyKUXVNKZGTDECST-UHFFFAOYSA-N
XLogP5.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54112515
1-[2-[1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54197679
ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
CID 22613816
1-[2-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3,5-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54402035
4-benzyl-6-(3,4-dichlorophenyl)-6-[2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]morpholin-3-one;hydrate;hydrochloride
CID 21200511
1-[2-[3-(4-chlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 67647600
bis(1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrrolidin-2-one);hydrate;dihydrochloride
CID 131721073
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 127266063
1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136558589
1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
CID 19424718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide (CID 54014877) is 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide is NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc4ccccc4c3)CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is KUXVNKZGTDECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c36-33(40)35(30-13-5-2-6-14-30)18-21-37(22-19-35)20-17-34(31-16-15-28-11-7-8-12-29(28)23-31)24-32(39)38(26-34)25-27-9-3-1-4-10-27/h1-16,23H,17-22,24-26H2,(H2,36,40).
What are the key properties of 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide?
1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 531.70 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-3-naphthalen-2-yl-5-oxopyrrolidin-3-yl)ethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 54014877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).