[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone

C22H25N3OS — CID 45220644

IUPAC[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCN(C)c1ncc(CN2CCCC(C(=O)c3cccc4ccccc34)C2)s1
InChIInChI=1S/C22H25N3OS/c1-24(2)22-23-13-18(27-22)15-25-12-6-9-17(14-25)21(26)20-11-5-8-16-7-3-4-10-19(16)20/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3
InChIKeyCESQIEUUKLAMLY-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.46
Rot. Bonds5

About [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone

[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 45220644) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID45220644
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCN(C)c1ncc(CN2CCCC(C(=O)c3cccc4ccccc34)C2)s1
InChIInChI=1S/C22H25N3OS/c1-24(2)22-23-13-18(27-22)15-25-12-6-9-17(14-25)21(26)20-11-5-8-16-7-3-4-10-19(16)20/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3
InChIKeyCESQIEUUKLAMLY-UHFFFAOYSA-N
XLogP4.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 30851904
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
naphthalen-1-yl-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
CID 25477877
ethyl 4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 25286557
N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45170651
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45243704
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 45170841
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone (CID 45220644) is [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone is CN(C)c1ncc(CN2CCCC(C(=O)c3cccc4ccccc34)C2)s1.
What is the InChIKey of [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is CESQIEUUKLAMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-24(2)22-23-13-18(27-22)15-25-12-6-9-17(14-25)21(26)20-11-5-8-16-7-3-4-10-19(16)20/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3.
What are the key properties of [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone?
[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 379.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 45220644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).