5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one

C23H24N6O3 — CID 127030928

IUPAC5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)CC3)ccc21
InChIInChI=1S/C23H24N6O3/c30-22(12-19-4-5-20(13-24-19)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-6-21-18(11-17)14-32-23(21)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
InChIKeyMFQAAAUYZQZOIP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.14
Rot. Bonds6

About 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one

5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 127030928) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
PubChem CID127030928
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)CC3)ccc21
InChIInChI=1S/C23H24N6O3/c30-22(12-19-4-5-20(13-24-19)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-6-21-18(11-17)14-32-23(21)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
InChIKeyMFQAAAUYZQZOIP-UHFFFAOYSA-N
XLogP2.14
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one (CID 127030928) is 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one is O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)CC3)ccc21.
What is the InChIKey of 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?
The InChIKey is MFQAAAUYZQZOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-22(12-19-4-5-20(13-24-19)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-6-21-18(11-17)14-32-23(21)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2.
What are the key properties of 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?
5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 432.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[2-[5-(tetrazol-1-yl)-2-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 127030928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).