(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C22H23N3O2S — CID 26315659

IUPAC(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C22H23N3O2S/c26-20-5-1-3-16(11-20)12-25-10-2-4-18(13-25)22(27)24-19-8-6-17(7-9-19)21-14-28-15-23-21/h1,3,5-9,11,14-15,18,26H,2,4,10,12-13H2,(H,24,27)/t18-/m0/s1
InChIKeyLPTPDCXJDMERPT-SFHVURJKSA-N
MW393.51 g/mol
LogP4.37
Rot. Bonds5

About (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 26315659) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID26315659
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C22H23N3O2S/c26-20-5-1-3-16(11-20)12-25-10-2-4-18(13-25)22(27)24-19-8-6-17(7-9-19)21-14-28-15-23-21/h1,3,5-9,11,14-15,18,26H,2,4,10,12-13H2,(H,24,27)/t18-/m0/s1
InChIKeyLPTPDCXJDMERPT-SFHVURJKSA-N
XLogP4.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 70757490
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 162655576
1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 162666279
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45211803
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 26315659) is (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is LPTPDCXJDMERPT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-20-5-1-3-16(11-20)12-25-10-2-4-18(13-25)22(27)24-19-8-6-17(7-9-19)21-14-28-15-23-21/h1,3,5-9,11,14-15,18,26H,2,4,10,12-13H2,(H,24,27)/t18-/m0/s1.
What are the key properties of (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 26315659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).