(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C15H25N5O2 — CID 100841194

IUPAC(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C15H25N5O2/c1-13(15(21)18-5-7-22-8-6-18)19-4-2-3-14(9-19)10-20-12-16-11-17-20/h11-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyOMNKPVBRMLZXHI-UONOGXRCSA-N
MW307.40 g/mol
LogP0.24
Rot. Bonds4

About (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 100841194) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID100841194
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C15H25N5O2/c1-13(15(21)18-5-7-22-8-6-18)19-4-2-3-14(9-19)10-20-12-16-11-17-20/h11-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyOMNKPVBRMLZXHI-UONOGXRCSA-N
XLogP0.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95320910
(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95314174
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 56802738
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
(2S)-2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95334813
(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95271780
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 100841194) is (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is OMNKPVBRMLZXHI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(15(21)18-5-7-22-8-6-18)19-4-2-3-14(9-19)10-20-12-16-11-17-20/h11-14H,2-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 100841194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).