1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

C26H31N5O — CID 163346995

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1
InChIInChI=1S/C26H31N5O/c1-19-6-14-31(15-7-19)25(32)18-30-12-8-21(9-13-30)24-3-2-22-16-23(17-28-26(22)29-24)20-4-10-27-11-5-20/h2-5,10-11,16-17,19,21H,6-9,12-15,18H2,1H3
InChIKeyCKNJTZLHXSZMLM-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (PubChem CID 163346995) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
PubChem CID163346995
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1
InChIInChI=1S/C26H31N5O/c1-19-6-14-31(15-7-19)25(32)18-30-12-8-21(9-13-30)24-3-2-22-16-23(17-28-26(22)29-24)20-4-10-27-11-5-20/h2-5,10-11,16-17,19,21H,6-9,12-15,18H2,1H3
InChIKeyCKNJTZLHXSZMLM-UHFFFAOYSA-N
XLogP4.13
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (CID 163346995) is 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is CC1CCN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is CKNJTZLHXSZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19-6-14-31(15-7-19)25(32)18-30-12-8-21(9-13-30)24-3-2-22-16-23(17-28-26(22)29-24)20-4-10-27-11-5-20/h2-5,10-11,16-17,19,21H,6-9,12-15,18H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 429.57 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 163346995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).