2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one

C22H22N4O2 — CID 154623527

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2ccn1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c27-22-19-15-23-9-5-16(19)8-12-26(22)14-13-25-10-6-17(7-11-25)21-18-3-1-2-4-20(18)28-24-21/h1-5,8-9,12,15,17H,6-7,10-11,13-14H2
InChIKeyQSNWXCHFRCSNIB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one

2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one (PubChem CID 154623527) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one
PubChem CID154623527
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2ccn1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c27-22-19-15-23-9-5-16(19)8-12-26(22)14-13-25-10-6-17(7-11-25)21-18-3-1-2-4-20(18)28-24-21/h1-5,8-9,12,15,17H,6-7,10-11,13-14H2
InChIKeyQSNWXCHFRCSNIB-UHFFFAOYSA-N
XLogP3.42
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one (CID 154623527) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one is O=c1c2cnccc2ccn1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one?
The InChIKey is QSNWXCHFRCSNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22-19-15-23-9-5-16(19)8-12-26(22)14-13-25-10-6-17(7-11-25)21-18-3-1-2-4-20(18)28-24-21/h1-5,8-9,12,15,17H,6-7,10-11,13-14H2.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one has a molecular weight of 374.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 154623527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).