2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

C22H31N3O3 — CID 118454719

IUPAC2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(C(=O)NC2CCN(C3CCOCC3)CC2)cccc1N1CCCC1=O
InChIInChI=1S/C22H31N3O3/c1-16-19(4-2-5-20(16)25-11-3-6-21(25)26)22(27)23-17-7-12-24(13-8-17)18-9-14-28-15-10-18/h2,4-5,17-18H,3,6-15H2,1H3,(H,23,27)
InChIKeyKLEYEVCSOBIICF-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 118454719) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID118454719
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(C(=O)NC2CCN(C3CCOCC3)CC2)cccc1N1CCCC1=O
InChIInChI=1S/C22H31N3O3/c1-16-19(4-2-5-20(16)25-11-3-6-21(25)26)22(27)23-17-7-12-24(13-8-17)18-9-14-28-15-10-18/h2,4-5,17-18H,3,6-15H2,1H3,(H,23,27)
InChIKeyKLEYEVCSOBIICF-UHFFFAOYSA-N
XLogP2.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 118454719) is 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1c(C(=O)NC2CCN(C3CCOCC3)CC2)cccc1N1CCCC1=O.
What is the InChIKey of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KLEYEVCSOBIICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-19(4-2-5-20(16)25-11-3-6-21(25)26)22(27)23-17-7-12-24(13-8-17)18-9-14-28-15-10-18/h2,4-5,17-18H,3,6-15H2,1H3,(H,23,27).
What are the key properties of 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 385.51 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 118454719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).