1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C15H20N6O2 — CID 56756375

IUPAC1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3cnnn3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-12-2-3-13(16-10-12)15(23)5-8-20(9-6-15)14(22)4-7-21-11-17-18-19-21/h2-3,10-11,23H,4-9H2,1H3
InChIKeyBWAHAQCZUHCWRT-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.28
Rot. Bonds4

About 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 56756375) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID56756375
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3cnnn3)CC2)nc1
InChIInChI=1S/C15H20N6O2/c1-12-2-3-13(16-10-12)15(23)5-8-20(9-6-15)14(22)4-7-21-11-17-18-19-21/h2-3,10-11,23H,4-9H2,1H3
InChIKeyBWAHAQCZUHCWRT-UHFFFAOYSA-N
XLogP0.28
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)pyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885523
2-(2,4-Difluorophenyl)-1,1-difluoro-1-pyridin-2-yl-3-(tetrazol-1-yl)propan-2-ol
CID 71143790
2-Pyridinemethanol, alpha-(4-fluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-
CID 5302795
1-[(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)acetyl]-4-pyridin-3-ylpiperidin-4-ol
CID 72863256
1-[3-(1H-benzimidazol-1-yl)propanoyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56756867
1-phenyl-1-(pyridin-2-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol
CID 5311656
(2R,3R)-2-(2,4-difluorophenyl)-3-(4-pyridin-2-ylpiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 44538601
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-(5-fluoropyridin-2-yl) piperidin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 44538602
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-pyridin-2-ylpyridin-2-one
CID 44538713
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-pyridin-2-ylpiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 44538717
[(3S,4R)-4-(2,4-difluorophenyl)-1-pyridazin-3-ylpyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-pyridin-2-ylpiperidin-1-yl]methanone
CID 59131038
(2R,3S)-2-(2,4-difluorophenyl)-3-(3-fluoro-2-pyridinyl)-1-(tetrazol-1-yl)butan-2-ol
CID 59603345

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 56756375) is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is Cc1ccc(C2(O)CCN(C(=O)CCn3cnnn3)CC2)nc1.
What is the InChIKey of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is BWAHAQCZUHCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12-2-3-13(16-10-12)15(23)5-8-20(9-6-15)14(22)4-7-21-11-17-18-19-21/h2-3,10-11,23H,4-9H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 316.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 56756375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).