1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one

C18H24N4OS — CID 120844631

IUPAC1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1nc2ccc(CN3CCCC(N4CCNCC4=O)C3)cc2s1
InChIInChI=1S/C18H24N4OS/c1-13-20-16-5-4-14(9-17(16)24-13)11-21-7-2-3-15(12-21)22-8-6-19-10-18(22)23/h4-5,9,15,19H,2-3,6-8,10-12H2,1H3
InChIKeyNBKUNHILLDDPSK-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one

1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844631) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844631
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1nc2ccc(CN3CCCC(N4CCNCC4=O)C3)cc2s1
InChIInChI=1S/C18H24N4OS/c1-13-20-16-5-4-14(9-17(16)24-13)11-21-7-2-3-15(12-21)22-8-6-19-10-18(22)23/h4-5,9,15,19H,2-3,6-8,10-12H2,1H3
InChIKeyNBKUNHILLDDPSK-UHFFFAOYSA-N
XLogP2.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
3-methyl-6-[[3-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1,3-benzothiazol-2-one;hydrochloride
CID 120844616
1-[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844575
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120838011
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
CID 120844579
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
CID 170326044
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one (CID 120844631) is 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one is Cc1nc2ccc(CN3CCCC(N4CCNCC4=O)C3)cc2s1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is NBKUNHILLDDPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-20-16-5-4-14(9-17(16)24-13)11-21-7-2-3-15(12-21)22-8-6-19-10-18(22)23/h4-5,9,15,19H,2-3,6-8,10-12H2,1H3.
What are the key properties of 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 344.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).