[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone

C18H28N2OS — CID 807320

IUPAC[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H28N2OS/c1-14-4-3-8-20(12-14)18(21)16-5-9-19(10-6-16)13-17-15(2)7-11-22-17/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyAJIRIBMOELIUNE-AWEZNQCLSA-N
MW320.50 g/mol
LogP3.53
Rot. Bonds3

About [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone

[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone (PubChem CID 807320) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
PubChem CID807320
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H28N2OS/c1-14-4-3-8-20(12-14)18(21)16-5-9-19(10-6-16)13-17-15(2)7-11-22-17/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyAJIRIBMOELIUNE-AWEZNQCLSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone
CID 7471884
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 43928880
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 51362820
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
CID 51116457
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone (CID 807320) is [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone is Cc1ccsc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is AJIRIBMOELIUNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-14-4-3-8-20(12-14)18(21)16-5-9-19(10-6-16)13-17-15(2)7-11-22-17/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone?
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 320.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 807320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).