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

C17H30N4O3 — CID 59056918

IUPAC(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3/c1-18-15-5-3-6-20(17(15)23)13-16(22)21-7-2-4-14(21)12-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15+/m0/s1
InChIKeyAKIDSGOYDMNQSM-LSDHHAIUSA-N
MW338.45 g/mol
LogP-0.48
Rot. Bonds5

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

(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 59056918) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID59056918
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O
InChIInChI=1S/C17H30N4O3/c1-18-15-5-3-6-20(17(15)23)13-16(22)21-7-2-4-14(21)12-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15+/m0/s1
InChIKeyAKIDSGOYDMNQSM-LSDHHAIUSA-N
XLogP-0.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 59056918) is (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is CN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O.
What is the InChIKey of (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is AKIDSGOYDMNQSM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-18-15-5-3-6-20(17(15)23)13-16(22)21-7-2-4-14(21)12-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
(3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 338.45 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-1-[2-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 59056918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).