N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide

C27H28N4O3 — CID 23743759

IUPACN-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C27H28N4O3/c28-17-19-6-10-22(11-7-19)31-25(32)16-24(27(31)34)30(26(33)21-8-9-21)23-12-14-29(15-13-23)18-20-4-2-1-3-5-20/h1-7,10-11,21,23-24H,8-9,12-16,18H2
InChIKeyRCAVIJPICRYGPS-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.09
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide

N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 23743759) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID23743759
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C27H28N4O3/c28-17-19-6-10-22(11-7-19)31-25(32)16-24(27(31)34)30(26(33)21-8-9-21)23-12-14-29(15-13-23)18-20-4-2-1-3-5-20/h1-7,10-11,21,23-24H,8-9,12-16,18H2
InChIKeyRCAVIJPICRYGPS-UHFFFAOYSA-N
XLogP3.09
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23971066
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23915154
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 25039679
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzamide
CID 23745335
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cycloheptylcyclopropanecarboxamide
CID 23802050
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitrobenzamide
CID 23888543

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 23743759) is N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is N#Cc1ccc(N2C(=O)CC(N(C(=O)C3CC3)C3CCN(Cc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is RCAVIJPICRYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c28-17-19-6-10-22(11-7-19)31-25(32)16-24(27(31)34)30(26(33)21-8-9-21)23-12-14-29(15-13-23)18-20-4-2-1-3-5-20/h1-7,10-11,21,23-24H,8-9,12-16,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23743759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).