[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C16H22N4O3 — CID 128980568

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C16H22N4O3/c1-11(2)20-9-14(17-18-20)16(22)6-4-7-19(10-16)15(21)13-5-8-23-12(13)3/h5,8-9,11,22H,4,6-7,10H2,1-3H3
InChIKeyIBTBPNHDYQABLN-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.88
Rot. Bonds3

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 128980568) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID128980568
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCC(O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C16H22N4O3/c1-11(2)20-9-14(17-18-20)16(22)6-4-7-19(10-16)15(21)13-5-8-23-12(13)3/h5,8-9,11,22H,4,6-7,10H2,1-3H3
InChIKeyIBTBPNHDYQABLN-UHFFFAOYSA-N
XLogP1.88
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorofuran-3-yl)-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 128981287
(2,5-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482977
[(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
[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
CID 129483992
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 129484052
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 128980494
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 128981869
2-(2,5-dimethylphenyl)-1-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]ethanone
CID 129482503
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 128982533
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
CID 167834711
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129482480

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 128980568) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCCC(O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is IBTBPNHDYQABLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)20-9-14(17-18-20)16(22)6-4-7-19(10-16)15(21)13-5-8-23-12(13)3/h5,8-9,11,22H,4,6-7,10H2,1-3H3.
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 128980568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).