N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide

C18H23N3OS — CID 134809052

IUPACN-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3OS/c1-14(22)20-18(2)8-10-21(11-9-18)13-16-12-19-17(23-16)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,20,22)
InChIKeyGQKYHFPMVHRZFT-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.30
Rot. Bonds4

About N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide

N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 134809052) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
PubChem CID134809052
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3OS/c1-14(22)20-18(2)8-10-21(11-9-18)13-16-12-19-17(23-16)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,20,22)
InChIKeyGQKYHFPMVHRZFT-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45242725
(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42212645
N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 134807420
N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26345479
1-(2-methoxyethyl)-3-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227051
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
2-methyl-N-[1-[7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 45191593
(2S)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42431682
[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
CID 66990026
3-[(4-methoxyphenyl)methyl]-1-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229840
(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
2-phenoxy-N-[1-[7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]acetamide
CID 45207909

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide (CID 134809052) is N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is GQKYHFPMVHRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14(22)20-18(2)8-10-21(11-9-18)13-16-12-19-17(23-16)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134809052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).