1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

C18H27N7O2 — CID 72863256

IUPAC1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H27N7O2/c1-14(2)23(3)12-16-20-21-22-25(16)13-17(26)24-9-6-18(27,7-10-24)15-5-4-8-19-11-15/h4-5,8,11,14,27H,6-7,9-10,12-13H2,1-3H3
InChIKeyQFSJNSZHENSTEW-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.42
Rot. Bonds6

About 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (PubChem CID 72863256) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
PubChem CID72863256
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C18H27N7O2/c1-14(2)23(3)12-16-20-21-22-25(16)13-17(26)24-9-6-18(27,7-10-24)15-5-4-8-19-11-15/h4-5,8,11,14,27H,6-7,9-10,12-13H2,1-3H3
InChIKeyQFSJNSZHENSTEW-UHFFFAOYSA-N
XLogP0.42
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (CID 72863256) is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is CC(C)N(C)Cc1nnnn1CC(=O)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The InChIKey is QFSJNSZHENSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-14(2)23(3)12-16-20-21-22-25(16)13-17(26)24-9-6-18(27,7-10-24)15-5-4-8-19-11-15/h4-5,8,11,14,27H,6-7,9-10,12-13H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 72863256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).