(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one

C16H17N7O2 — CID 125130683

IUPAC(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](Oc3ccc(-n4cnnn4)cc3)C2=O)cn1
InChIInChI=1S/C16H17N7O2/c1-21-10-13(9-18-21)22-8-2-3-15(16(22)24)25-14-6-4-12(5-7-14)23-11-17-19-20-23/h4-7,9-11,15H,2-3,8H2,1H3/t15-/m1/s1
InChIKeySDKXPNVQOWPHRU-OAHLLOKOSA-N
MW339.36 g/mol
LogP0.97
Rot. Bonds4

About (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one

(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one (PubChem CID 125130683) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one
PubChem CID125130683
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](Oc3ccc(-n4cnnn4)cc3)C2=O)cn1
InChIInChI=1S/C16H17N7O2/c1-21-10-13(9-18-21)22-8-2-3-15(16(22)24)25-14-6-4-12(5-7-14)23-11-17-19-20-23/h4-7,9-11,15H,2-3,8H2,1H3/t15-/m1/s1
InChIKeySDKXPNVQOWPHRU-OAHLLOKOSA-N
XLogP0.97
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one?
The IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one (CID 125130683) is (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one.
What is the SMILES notation for (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one?
The canonical SMILES for (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one is Cn1cc(N2CCC[C@@H](Oc3ccc(-n4cnnn4)cc3)C2=O)cn1.
What is the InChIKey of (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one?
The InChIKey is SDKXPNVQOWPHRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-21-10-13(9-18-21)22-8-2-3-15(16(22)24)25-14-6-4-12(5-7-14)23-11-17-19-20-23/h4-7,9-11,15H,2-3,8H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one?
(3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one has a molecular weight of 339.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylpyrazol-4-yl)-3-[4-(tetrazol-1-yl)phenoxy]piperidin-2-one is sourced from PubChem (CID 125130683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).