1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C22H29ClN4O3 — CID 1282166

IUPAC1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1Cl
InChIInChI=1S/C22H29ClN4O3/c1-15-5-6-16(13-17(15)23)27-19(28)14-18(20(27)29)25-11-7-22(8-12-25,21(24)30)26-9-3-2-4-10-26/h5-6,13,18H,2-4,7-12,14H2,1H3,(H2,24,30)/t18-/m1/s1
InChIKeyURFQSARHSUWHCR-GOSISDBHSA-N
MW432.95 g/mol
LogP2.09
Rot. Bonds4

About 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1282166) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1282166
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1Cl
InChIInChI=1S/C22H29ClN4O3/c1-15-5-6-16(13-17(15)23)27-19(28)14-18(20(27)29)25-11-7-22(8-12-25,21(24)30)26-9-3-2-4-10-26/h5-6,13,18H,2-4,7-12,14H2,1H3,(H2,24,30)/t18-/m1/s1
InChIKeyURFQSARHSUWHCR-GOSISDBHSA-N
XLogP2.09
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1282167
1-[(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1307651
1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 3719393
1-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059
1-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884054
ethyl 4-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 3373929
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 27833260
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884731
1-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 5184417

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1282166) is 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1Cl.
What is the InChIKey of 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is URFQSARHSUWHCR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-15-5-6-16(13-17(15)23)27-19(28)14-18(20(27)29)25-11-7-22(8-12-25,21(24)30)26-9-3-2-4-10-26/h5-6,13,18H,2-4,7-12,14H2,1H3,(H2,24,30)/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1282166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).