[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H25N3O4 — CID 155942225

IUPAC[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-13-17(14-20(29-2)21(19)30-3)23(27)26-11-8-15(9-12-26)18-7-6-16-5-4-10-24-22(16)25-18/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeyRSSKHIJRCYYVMZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.68
Rot. Bonds5

About [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155942225) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155942225
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-19-13-17(14-20(29-2)21(19)30-3)23(27)26-11-8-15(9-12-26)18-7-6-16-5-4-10-24-22(16)25-18/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeyRSSKHIJRCYYVMZ-UHFFFAOYSA-N
XLogP3.68
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155799037
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 155942020
(4-thiophen-2-ylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90522152
(1-methylpiperidin-3-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163347903
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274

Frequently Asked Questions

What is the IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 155942225) is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RSSKHIJRCYYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-19-13-17(14-20(29-2)21(19)30-3)23(27)26-11-8-15(9-12-26)18-7-6-16-5-4-10-24-22(16)25-18/h4-7,10,13-15H,8-9,11-12H2,1-3H3.
What are the key properties of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155942225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).