(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

C16H28N4O3 — CID 59056721

IUPAC(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O
InChIInChI=1S/C16H28N4O3/c17-14-4-2-5-19(16(14)22)12-15(21)20-6-1-3-13(20)11-18-7-9-23-10-8-18/h13-14H,1-12,17H2/t13-,14+/m0/s1
InChIKeyIPGYMDVEPFVINH-UONOGXRCSA-N
MW324.43 g/mol
LogP-0.74
Rot. Bonds4

About (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 59056721) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID59056721
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O
InChIInChI=1S/C16H28N4O3/c17-14-4-2-5-19(16(14)22)12-15(21)20-6-1-3-13(20)11-18-7-9-23-10-8-18/h13-14H,1-12,17H2/t13-,14+/m0/s1
InChIKeyIPGYMDVEPFVINH-UONOGXRCSA-N
XLogP-0.74
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 59056721) is (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is N[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O.
What is the InChIKey of (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is IPGYMDVEPFVINH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O3/c17-14-4-2-5-19(16(14)22)12-15(21)20-6-1-3-13(20)11-18-7-9-23-10-8-18/h13-14H,1-12,17H2/t13-,14+/m0/s1.
What are the key properties of (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
(3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 324.43 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 59056721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).