[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone

C24H27ClN4OS — CID 92885007

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
SMILESCc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nccc2s1
InChIInChI=1S/C24H27ClN4OS/c1-17-15-21-22(31-17)8-9-26-23(21)29-10-2-3-18(16-29)24(30)28-13-11-27(12-14-28)20-6-4-19(25)5-7-20/h4-9,15,18H,2-3,10-14,16H2,1H3/t18-/m0/s1
InChIKeyRSJLLZKTBQVQGZ-SFHVURJKSA-N
MW455.03 g/mol
LogP4.82
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone (PubChem CID 92885007) has the molecular formula C24H27ClN4OS and a molecular weight of 455.03 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
PubChem CID92885007
Molecular FormulaC24H27ClN4OS
Molecular Weight455.03 g/mol
Exact Mass454.16
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
SMILESCc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nccc2s1
InChIInChI=1S/C24H27ClN4OS/c1-17-15-21-22(31-17)8-9-26-23(21)29-10-2-3-18(16-29)24(30)28-13-11-27(12-14-28)20-6-4-19(25)5-7-20/h4-9,15,18H,2-3,10-14,16H2,1H3/t18-/m0/s1
InChIKeyRSJLLZKTBQVQGZ-SFHVURJKSA-N
XLogP4.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.03
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885018
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839363
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 90610065
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612025
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90520930
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidin-3-yl]methanone
CID 46328159
[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50834375

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone (CID 92885007) is [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone is Cc1cc2c(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nccc2s1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The InChIKey is RSJLLZKTBQVQGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27ClN4OS/c1-17-15-21-22(31-17)8-9-26-23(21)29-10-2-3-18(16-29)24(30)28-13-11-27(12-14-28)20-6-4-19(25)5-7-20/h4-9,15,18H,2-3,10-14,16H2,1H3/t18-/m0/s1.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone has a molecular weight of 455.03 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 92885007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).