[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

C18H26N2OS — CID 119490722

IUPAC[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
SMILESCNC1CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N2OS/c1-19-15-8-7-13-20(14-15)17(21)18(11-5-6-12-18)22-16-9-3-2-4-10-16/h2-4,9-10,15,19H,5-8,11-14H2,1H3
InChIKeyUOCBXXOWDOFCQW-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.30
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone

[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone (PubChem CID 119490722) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
PubChem CID119490722
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
SMILESCNC1CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1
InChIInChI=1S/C18H26N2OS/c1-19-15-8-7-13-20(14-15)17(21)18(11-5-6-12-18)22-16-9-3-2-4-10-16/h2-4,9-10,15,19H,5-8,11-14H2,1H3
InChIKeyUOCBXXOWDOFCQW-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119395809
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
[3-(methylamino)piperidin-1-yl]-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanone;hydrochloride
CID 119490657
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119490553
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769
1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
CID 119491408
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
CID 119492953
[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491517

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone (CID 119490722) is [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone is CNC1CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
The InChIKey is UOCBXXOWDOFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-19-15-8-7-13-20(14-15)17(21)18(11-5-6-12-18)22-16-9-3-2-4-10-16/h2-4,9-10,15,19H,5-8,11-14H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone?
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone has a molecular weight of 318.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone is sourced from PubChem (CID 119490722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).