N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C24H34FN3O3 — CID 45245245

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C24H34FN3O3/c25-22-7-2-1-5-20(22)16-26-12-9-19(10-13-26)15-28(17-21-6-4-14-31-21)24(30)18-27-11-3-8-23(27)29/h1-2,5,7,19,21H,3-4,6,8-18H2
InChIKeySESJKFBIOSIQFX-UHFFFAOYSA-N
MW431.55 g/mol
LogP2.67
Rot. Bonds8

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 45245245) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID45245245
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C1CCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C24H34FN3O3/c25-22-7-2-1-5-20(22)16-26-12-9-19(10-13-26)15-28(17-21-6-4-14-31-21)24(30)18-27-11-3-8-23(27)29/h1-2,5,7,19,21H,3-4,6,8-18H2
InChIKeySESJKFBIOSIQFX-UHFFFAOYSA-N
XLogP2.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 45245245) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C1CCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is SESJKFBIOSIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c25-22-7-2-1-5-20(22)16-26-12-9-19(10-13-26)15-28(17-21-6-4-14-31-21)24(30)18-27-11-3-8-23(27)29/h1-2,5,7,19,21H,3-4,6,8-18H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 431.55 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 45245245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).