[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C26H27N5O — CID 175643398

IUPAC[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1-c1cccc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc12
InChIInChI=1S/C26H27N5O/c1-29(2)25-9-4-3-7-24(25)23-8-5-6-19-16-20(10-11-22(19)23)26(32)30-14-12-21(13-15-30)31-17-27-28-18-31/h3-11,16-18,21H,12-15H2,1-2H3
InChIKeyJUFIKFANIQLOKV-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.64
Rot. Bonds4

About [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 175643398) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID175643398
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1-c1cccc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc12
InChIInChI=1S/C26H27N5O/c1-29(2)25-9-4-3-7-24(25)23-8-5-6-19-16-20(10-11-22(19)23)26(32)30-14-12-21(13-15-30)31-17-27-28-18-31/h3-11,16-18,21H,12-15H2,1-2H3
InChIKeyJUFIKFANIQLOKV-UHFFFAOYSA-N
XLogP4.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-[5-(5-methyl-1H-indol-3-yl)naphthalen-2-yl]methanone
CID 175640704
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
CID 172661171
2-fluoro-3-[6-[3-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]naphthalen-1-yl]benzoic acid
CID 175643836
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone
CID 176501286
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119074993

Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 175643398) is [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is CN(C)c1ccccc1-c1cccc2cc(C(=O)N3CCC(n4cnnc4)CC3)ccc12.
What is the InChIKey of [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is JUFIKFANIQLOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-29(2)25-9-4-3-7-24(25)23-8-5-6-19-16-20(10-11-22(19)23)26(32)30-14-12-21(13-15-30)31-17-27-28-18-31/h3-11,16-18,21H,12-15H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
[5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 425.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)phenyl]naphthalen-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 175643398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).