(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one

C17H28N4O2 — CID 129339101

IUPAC(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NC2C[C@@H](C)O[C@H](C)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-21-10-13(9-18-21)17-15(5-6-16(22)20-17)19-14-7-11(2)23-12(3)8-14/h9-12,14-15,17,19H,4-8H2,1-3H3,(H,20,22)/t11-,12-,15-,17+/m1/s1
InChIKeyOBJDEWOBAPAEQO-RYPCIWMOSA-N
MW320.44 g/mol
LogP1.77
Rot. Bonds4

About (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one

(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one (PubChem CID 129339101) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
PubChem CID129339101
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2NC2C[C@@H](C)O[C@H](C)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-21-10-13(9-18-21)17-15(5-6-16(22)20-17)19-14-7-11(2)23-12(3)8-14/h9-12,14-15,17,19H,4-8H2,1-3H3,(H,20,22)/t11-,12-,15-,17+/m1/s1
InChIKeyOBJDEWOBAPAEQO-RYPCIWMOSA-N
XLogP1.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one with MolForge

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Related Compounds

(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 128993535
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
CID 129343145
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(3-methylphenyl)methylamino]piperidin-2-one
CID 146133555
(5R,6S)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129007198
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
CID 129003360
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129002631
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
CID 129002667
(5R,6S)-5-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129001857
(5R,6S)-5-[[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129474825
(2S,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
CID 129338401

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one (CID 129339101) is (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one is CCn1cc([C@@H]2NC(=O)CC[C@H]2NC2C[C@@H](C)O[C@H](C)C2)cn1.
What is the InChIKey of (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is OBJDEWOBAPAEQO-RYPCIWMOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-10-13(9-18-21)17-15(5-6-16(22)20-17)19-14-7-11(2)23-12(3)8-14/h9-12,14-15,17,19H,4-8H2,1-3H3,(H,20,22)/t11-,12-,15-,17+/m1/s1.
What are the key properties of (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 129339101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).