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

C19H25N3OS — CID 119830387

IUPAC(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)C1
InChIInChI=1S/C19H25N3OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-2,6-7,13-15H,3-5,8-12,20H2
InChIKeyHVYBJSFAOKSVBW-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.52
Rot. Bonds2

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

(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 119830387) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID119830387
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)C1
InChIInChI=1S/C19H25N3OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-2,6-7,13-15H,3-5,8-12,20H2
InChIKeyHVYBJSFAOKSVBW-UHFFFAOYSA-N
XLogP3.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26013824
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 119830399
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125118111
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119830406
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 46698817
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 41273997
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 51291780
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120796954
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167615221
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 119830387) is (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is NC1CCCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HVYBJSFAOKSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-2,6-7,13-15H,3-5,8-12,20H2.
What are the key properties of (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 343.50 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119830387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).