(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide

C15H21N5O3 — CID 120938926

IUPAC(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C15H21N5O3/c1-10-14(17-5-7-23-10)15(22)19-11-2-3-12(18-8-11)20-6-4-16-13(21)9-20/h2-3,8,10,14,17H,4-7,9H2,1H3,(H,16,21)(H,19,22)/t10-,14+/m1/s1
InChIKeyPUYMALJOHQXHIA-YGRLFVJLSA-N
MW319.37 g/mol
LogP-0.67
Rot. Bonds3

About (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide (PubChem CID 120938926) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide
PubChem CID120938926
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C15H21N5O3/c1-10-14(17-5-7-23-10)15(22)19-11-2-3-12(18-8-11)20-6-4-16-13(21)9-20/h2-3,8,10,14,17H,4-7,9H2,1H3,(H,16,21)(H,19,22)/t10-,14+/m1/s1
InChIKeyPUYMALJOHQXHIA-YGRLFVJLSA-N
XLogP-0.67
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-3-carboxamide
CID 120938472
trans-(1R,2R)-2-(4-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 97011933
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-N-[6-(diethylamino)-3-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938917
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
CID 120918415
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide (CID 120938926) is (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide?
The InChIKey is PUYMALJOHQXHIA-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-14(17-5-7-23-10)15(22)19-11-2-3-12(18-8-11)20-6-4-16-13(21)9-20/h2-3,8,10,14,17H,4-7,9H2,1H3,(H,16,21)(H,19,22)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]morpholine-3-carboxamide is sourced from PubChem (CID 120938926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).