[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone

C20H30N2OS — CID 119395809

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
SMILESCNCC1CCCN(C(=O)C2(Sc3ccc(C)cc3)CCCC2)C1
InChIInChI=1S/C20H30N2OS/c1-16-7-9-18(10-8-16)24-20(11-3-4-12-20)19(23)22-13-5-6-17(15-22)14-21-2/h7-10,17,21H,3-6,11-15H2,1-2H3
InChIKeyYGQAZGNJXZOMBG-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.86
Rot. Bonds5

About [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone

[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone (PubChem CID 119395809) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
PubChem CID119395809
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
SMILESCNCC1CCCN(C(=O)C2(Sc3ccc(C)cc3)CCCC2)C1
InChIInChI=1S/C20H30N2OS/c1-16-7-9-18(10-8-16)24-20(11-3-4-12-20)19(23)22-13-5-6-17(15-22)14-21-2/h7-10,17,21H,3-6,11-15H2,1-2H3
InChIKeyYGQAZGNJXZOMBG-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119622558
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 119397025
[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119395359
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612732
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314564

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone (CID 119395809) is [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone is CNCC1CCCN(C(=O)C2(Sc3ccc(C)cc3)CCCC2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The InChIKey is YGQAZGNJXZOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-16-7-9-18(10-8-16)24-20(11-3-4-12-20)19(23)22-13-5-6-17(15-22)14-21-2/h7-10,17,21H,3-6,11-15H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone has a molecular weight of 346.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone is sourced from PubChem (CID 119395809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).