(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C24H23N3OS — CID 56532971

IUPAC(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCC(c2nccs2)C1
InChIInChI=1S/C24H23N3OS/c28-24(26-13-6-9-19(16-26)23-25-12-14-29-23)21-17-27(15-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-5,7-8,10-12,14,17,19H,6,9,13,15-16H2
InChIKeyMSKVBLDKBIIXLO-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.17
Rot. Bonds4

About (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56532971) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56532971
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCC(c2nccs2)C1
InChIInChI=1S/C24H23N3OS/c28-24(26-13-6-9-19(16-26)23-25-12-14-29-23)21-17-27(15-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-5,7-8,10-12,14,17,19H,6,9,13,15-16H2
InChIKeyMSKVBLDKBIIXLO-UHFFFAOYSA-N
XLogP5.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56544545
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579197
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 56544865
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56532971) is (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCC(c2nccs2)C1.
What is the InChIKey of (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is MSKVBLDKBIIXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-24(26-13-6-9-19(16-26)23-25-12-14-29-23)21-17-27(15-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-5,7-8,10-12,14,17,19H,6,9,13,15-16H2.
What are the key properties of (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 401.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56532971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).