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

C21H30FN3O2 — CID 24790641

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H30FN3O2/c1-23(20(26)10-5-13-25-14-6-11-21(25)27)18-8-4-12-24(16-18)15-17-7-2-3-9-19(17)22/h2-3,7,9,18H,4-6,8,10-16H2,1H3
InChIKeyHGSUQLIMCIMDFH-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.65
Rot. Bonds7

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

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 24790641) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID24790641
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H30FN3O2/c1-23(20(26)10-5-13-25-14-6-11-21(25)27)18-8-4-12-24(16-18)15-17-7-2-3-9-19(17)22/h2-3,7,9,18H,4-6,8,10-16H2,1H3
InChIKeyHGSUQLIMCIMDFH-UHFFFAOYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide (CID 24790641) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is CN(C(=O)CCCN1CCCC1=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HGSUQLIMCIMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-23(20(26)10-5-13-25-14-6-11-21(25)27)18-8-4-12-24(16-18)15-17-7-2-3-9-19(17)22/h2-3,7,9,18H,4-6,8,10-16H2,1H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 375.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 24790641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).