(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone

C24H28N4OS — CID 20889639

IUPAC(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
SMILESO=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N4OS/c29-23(27-15-13-26(14-16-27)18-19-7-3-1-4-8-19)20-9-10-21-22(17-20)30-24(25-21)28-11-5-2-6-12-28/h1,3-4,7-10,17H,2,5-6,11-16,18H2
InChIKeyTUONACIYKNJEIC-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.24
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone

(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone (PubChem CID 20889639) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
PubChem CID20889639
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone
SMILESO=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N4OS/c29-23(27-15-13-26(14-16-27)18-19-7-3-1-4-8-19)20-9-10-21-22(17-20)30-24(25-21)28-11-5-2-6-12-28/h1,3-4,7-10,17H,2,5-6,11-16,18H2
InChIKeyTUONACIYKNJEIC-UHFFFAOYSA-N
XLogP4.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
(S)-(2-(Ethylsulfonyl)phenyl)(4-(6-fluorobenzo[d]thiazol-2-yl)-2-methylpiperazin-1-yl)methanone
CID 132145761
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187
2-Amino-1,3-benzothiazole-6-carboxamide
CID 606347
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274
2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 746903
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7538937
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7538944
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]benzamide
CID 16310978
(E)-N-(2-(diethylamino)ethyl)-N-(6-methylbenzo[d]thiazol-2-yl)-3-(thiophen-2-yl)acrylamide hydrochloride
CID 24761872
N-(4,6-Dimethyl-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide hydrochloride
CID 24761894

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone (CID 20889639) is (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone is O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
The InChIKey is TUONACIYKNJEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c29-23(27-15-13-26(14-16-27)18-19-7-3-1-4-8-19)20-9-10-21-22(17-20)30-24(25-21)28-11-5-2-6-12-28/h1,3-4,7-10,17H,2,5-6,11-16,18H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone has a molecular weight of 420.58 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 20889639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).