(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one

C16H25N3O2 — CID 52511172

IUPAC(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
SMILESCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cn1
InChIInChI=1S/C16H25N3O2/c1-11-6-5-7-12(2)19(11)16(20)13(3)18-14-8-9-15(21-4)17-10-14/h8-13,18H,5-7H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyPTTDZXQVGYMRCT-RWMBFGLXSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds4

About (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one

(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one (PubChem CID 52511172) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
PubChem CID52511172
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
SMILESCOc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cn1
InChIInChI=1S/C16H25N3O2/c1-11-6-5-7-12(2)19(11)16(20)13(3)18-14-8-9-15(21-4)17-10-14/h8-13,18H,5-7H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyPTTDZXQVGYMRCT-RWMBFGLXSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one?
The IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one (CID 52511172) is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one?
The canonical SMILES for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one is COc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cn1.
What is the InChIKey of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one?
The InChIKey is PTTDZXQVGYMRCT-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-6-5-7-12(2)19(11)16(20)13(3)18-14-8-9-15(21-4)17-10-14/h8-13,18H,5-7H2,1-4H3/t11-,12-,13+/m0/s1.
What are the key properties of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one?
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one is sourced from PubChem (CID 52511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).