N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

C29H35N3O4 — CID 45202246

IUPACN,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)CC2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C29H35N3O4/c1-4-31(5-2)27(35)23-15-17-32(18-16-23)26(34)20-29(19-25(33)30(3)28(29)36)24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,23H,4-5,15-20H2,1-3H3
InChIKeyVPARRBFENDWBIG-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.48
Rot. Bonds7

About N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 45202246) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID45202246
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC NameN,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)CC2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C29H35N3O4/c1-4-31(5-2)27(35)23-15-17-32(18-16-23)26(34)20-29(19-25(33)30(3)28(29)36)24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,23H,4-5,15-20H2,1-3H3
InChIKeyVPARRBFENDWBIG-UHFFFAOYSA-N
XLogP3.48
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45239394
4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]-1,4-diazepane-1-carbaldehyde
CID 45215839
(3R)-3-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42365792
(3R)-1-methyl-3-[2-[(3S)-3-(3-methylbutanoyl)piperidin-1-yl]-2-oxoethyl]-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42168052
N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45184431
(3S)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 26278168
1-[2-[(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-N,N-diethylpiperidine-4-carboxamide
CID 42383240
3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45183466
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N,N-diethylacetamide
CID 42346664
1-cyclopropyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 45250074
N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
CID 42436101
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (CID 45202246) is N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(=O)CC2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1.
What is the InChIKey of N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is VPARRBFENDWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-4-31(5-2)27(35)23-15-17-32(18-16-23)26(34)20-29(19-25(33)30(3)28(29)36)24-13-11-22(12-14-24)21-9-7-6-8-10-21/h6-14,23H,4-5,15-20H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 45202246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).