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

C23H24N4O — CID 167825296

IUPAC[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C23H24N4O/c28-23(20-5-1-3-18-15-24-12-8-19(18)20)27-13-9-16(10-14-27)21-7-6-17-4-2-11-25-22(17)26-21/h1-7,11,16,24H,8-10,12-15H2
InChIKeyMKQGJQFHVXMBAP-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.30
Rot. Bonds2

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

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 167825296) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID167825296
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C23H24N4O/c28-23(20-5-1-3-18-15-24-12-8-19(18)20)27-13-9-16(10-14-27)21-7-6-17-4-2-11-25-22(17)26-21/h1-7,11,16,24H,8-10,12-15H2
InChIKeyMKQGJQFHVXMBAP-UHFFFAOYSA-N
XLogP3.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 155942020
1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
CID 104557882
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
(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
(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558943
2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 155942155
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 155799572
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 146111343

Frequently Asked Questions

What is the IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 167825296) is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is O=C(c1cccc2c1CCNC2)N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is MKQGJQFHVXMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(20-5-1-3-18-15-24-12-8-19(18)20)27-13-9-16(10-14-27)21-7-6-17-4-2-11-25-22(17)26-21/h1-7,11,16,24H,8-10,12-15H2.
What are the key properties of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 167825296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).