N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

C24H37N3O2 — CID 24817048

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCCN3CCCC3=O)C2)cc1
InChIInChI=1S/C24H37N3O2/c1-19(2)16-20-9-11-21(12-10-20)17-26-13-3-6-22(18-26)25-23(28)7-4-14-27-15-5-8-24(27)29/h9-12,19,22H,3-8,13-18H2,1-2H3,(H,25,28)
InChIKeyUWAWDPKKWBVPCQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.37
Rot. Bonds9

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 24817048) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID24817048
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCCN3CCCC3=O)C2)cc1
InChIInChI=1S/C24H37N3O2/c1-19(2)16-20-9-11-21(12-10-20)17-26-13-3-6-22(18-26)25-23(28)7-4-14-27-15-5-8-24(27)29/h9-12,19,22H,3-8,13-18H2,1-2H3,(H,25,28)
InChIKeyUWAWDPKKWBVPCQ-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 24817048) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)CCCN3CCCC3=O)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is UWAWDPKKWBVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-19(2)16-20-9-11-21(12-10-20)17-26-13-3-6-22(18-26)25-23(28)7-4-14-27-15-5-8-24(27)29/h9-12,19,22H,3-8,13-18H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 399.58 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 24817048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).