[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone

C16H24N4O2 — CID 124695718

IUPAC[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCNCC3)cn2)C[C@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-10-20(11-13(2)22-12)15-4-3-14(9-18-15)16(21)19-7-5-17-6-8-19/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3/t12-,13+
InChIKeyXVDDEMITEDWXEH-BETUJISGSA-N
MW304.39 g/mol
LogP0.74
Rot. Bonds2

About [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 124695718) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID124695718
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESC[C@@H]1CN(c2ccc(C(=O)N3CCNCC3)cn2)C[C@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-10-20(11-13(2)22-12)15-4-3-14(9-18-15)16(21)19-7-5-17-6-8-19/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3/t12-,13+
InChIKeyXVDDEMITEDWXEH-BETUJISGSA-N
XLogP0.74
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone
CID 112837409
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
6-(2,6-dimethylmorpholin-4-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-3-carboxamide;hydrochloride
CID 120644540

Frequently Asked Questions

What is the IUPAC name of [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone (CID 124695718) is [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone is C[C@@H]1CN(c2ccc(C(=O)N3CCNCC3)cn2)C[C@H](C)O1.
What is the InChIKey of [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is XVDDEMITEDWXEH-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-10-20(11-13(2)22-12)15-4-3-14(9-18-15)16(21)19-7-5-17-6-8-19/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3/t12-,13+.
What are the key properties of [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 124695718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).