1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C18H25N5O2 — CID 129482480

IUPAC1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C18H25N5O2/c1-13(2)23-11-16(20-21-23)18(25)7-4-8-22(12-18)17(24)9-15-6-5-14(3)19-10-15/h5-6,10-11,13,25H,4,7-9,12H2,1-3H3/t18-/m1/s1
InChIKeyBCHUDNALLDOOOS-GOSISDBHSA-N
MW343.43 g/mol
LogP1.62
Rot. Bonds4

About 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 129482480) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID129482480
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)cn1
InChIInChI=1S/C18H25N5O2/c1-13(2)23-11-16(20-21-23)18(25)7-4-8-22(12-18)17(24)9-15-6-5-14(3)19-10-15/h5-6,10-11,13,25H,4,7-9,12H2,1-3H3/t18-/m1/s1
InChIKeyBCHUDNALLDOOOS-GOSISDBHSA-N
XLogP1.62
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylphenyl)-1-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]ethanone
CID 129482503
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 129484596
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128980568
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 129484052
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 129483484
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129484034
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128981852
3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 128981355
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 128981869
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
CID 167834711
1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 168923879

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 129482480) is 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)cn1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is BCHUDNALLDOOOS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)23-11-16(20-21-23)18(25)7-4-8-22(12-18)17(24)9-15-6-5-14(3)19-10-15/h5-6,10-11,13,25H,4,7-9,12H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 129482480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).