[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C22H22N2OS — CID 51148858

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2nc3ccccc3s2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H22N2OS/c25-21(22(12-13-22)17-6-2-1-3-7-17)24-14-10-16(11-15-24)20-23-18-8-4-5-9-19(18)26-20/h1-9,16H,10-15H2
InChIKeyQHFWDBXRZIGDNV-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.73
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 51148858) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID51148858
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(c2nc3ccccc3s2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H22N2OS/c25-21(22(12-13-22)17-6-2-1-3-7-17)24-14-10-16(11-15-24)20-23-18-8-4-5-9-19(18)26-20/h1-9,16H,10-15H2
InChIKeyQHFWDBXRZIGDNV-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641353
[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 56823628
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119830434
(E)-3-(1,3-benzothiazol-2-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 9116960
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55648137
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
4-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119830444
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 72896588

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 51148858) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCC(c2nc3ccccc3s2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is QHFWDBXRZIGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-21(22(12-13-22)17-6-2-1-3-7-17)24-14-10-16(11-15-24)20-23-18-8-4-5-9-19(18)26-20/h1-9,16H,10-15H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 362.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 51148858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).