[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C23H27N3O2S — CID 30851904

IUPAC[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cnc(N(C)C)s4)C3)ccc2c1
InChIInChI=1S/C23H27N3O2S/c1-25(2)23-24-13-21(29-23)15-26-10-4-5-19(14-26)22(27)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyQKVATIMXBGVBKW-LJQANCHMSA-N
MW409.56 g/mol
LogP4.47
Rot. Bonds6

About [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 30851904) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID30851904
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cnc(N(C)C)s4)C3)ccc2c1
InChIInChI=1S/C23H27N3O2S/c1-25(2)23-24-13-21(29-23)15-26-10-4-5-19(14-26)22(27)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1
InChIKeyQKVATIMXBGVBKW-LJQANCHMSA-N
XLogP4.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45220644
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(6-methoxynaphthalen-2-yl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 42453744
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 45234130
[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 26318364
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
(3,4-dimethoxyphenyl)-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42564860
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
1,3-benzodioxol-5-yl-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanone
CID 45187766
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 30851904) is [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cnc(N(C)C)s4)C3)ccc2c1.
What is the InChIKey of [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is QKVATIMXBGVBKW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-25(2)23-24-13-21(29-23)15-26-10-4-5-19(14-26)22(27)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 409.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 30851904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).