1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

C25H33N3O4 — CID 45182522

IUPAC1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C25H33N3O4/c26-23(31)19-11-13-27(14-12-19)21(29)15-25(20-9-5-2-6-10-20)16-22(30)28(24(25)32)17-18-7-3-1-4-8-18/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H2,26,31)
InChIKeyNEHQCOIQCGXBAD-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 45182522) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID45182522
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C25H33N3O4/c26-23(31)19-11-13-27(14-12-19)21(29)15-25(20-9-5-2-6-10-20)16-22(30)28(24(25)32)17-18-7-3-1-4-8-18/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H2,26,31)
InChIKeyNEHQCOIQCGXBAD-UHFFFAOYSA-N
XLogP2.38
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
CID 45174557
(3S)-1-(cyclohexylmethyl)-3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
CID 42483067
1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
CID 45172528
1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
CID 45216462
2-[(3R)-1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 42455663
(3S)-3-[2-(azocan-1-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42165590
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 45174758
(3R)-3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42437414
N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45202246
ethyl 4-[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45230903
ethyl 1-[2-[(3R)-1-benzyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-4-carboxylate
CID 42324913
1-cyclopropyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 45250074

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (CID 45182522) is 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is NEHQCOIQCGXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c26-23(31)19-11-13-27(14-12-19)21(29)15-25(20-9-5-2-6-10-20)16-22(30)28(24(25)32)17-18-7-3-1-4-8-18/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H2,26,31).
What are the key properties of 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 45182522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).