N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C24H36N4O4 — CID 24660303

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC2CCN(CC(N)=O)CC2)C1c1ccccc1OC
InChIInChI=1S/C24H36N4O4/c1-3-4-13-28-22(30)10-9-19(23(28)18-7-5-6-8-20(18)32-2)24(31)26-17-11-14-27(15-12-17)16-21(25)29/h5-8,17,19,23H,3-4,9-16H2,1-2H3,(H2,25,29)(H,26,31)
InChIKeyUUEPYKNPPIXWBR-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.84
Rot. Bonds9

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24660303) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24660303
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC2CCN(CC(N)=O)CC2)C1c1ccccc1OC
InChIInChI=1S/C24H36N4O4/c1-3-4-13-28-22(30)10-9-19(23(28)18-7-5-6-8-20(18)32-2)24(31)26-17-11-14-27(15-12-17)16-21(25)29/h5-8,17,19,23H,3-4,9-16H2,1-2H3,(H2,25,29)(H,26,31)
InChIKeyUUEPYKNPPIXWBR-UHFFFAOYSA-N
XLogP1.84
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 24660303) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NC2CCN(CC(N)=O)CC2)C1c1ccccc1OC.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UUEPYKNPPIXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-3-4-13-28-22(30)10-9-19(23(28)18-7-5-6-8-20(18)32-2)24(31)26-17-11-14-27(15-12-17)16-21(25)29/h5-8,17,19,23H,3-4,9-16H2,1-2H3,(H2,25,29)(H,26,31).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24660303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).