cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone

C18H22N2OS2 — CID 56808711

IUPACcyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2cc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H22N2OS2/c21-18(13-3-4-13)20-7-5-15(6-8-20)19-11-16-10-14(12-23-16)17-2-1-9-22-17/h1-2,9-10,12-13,15,19H,3-8,11H2
InChIKeyYRUMMHCSJDOVPB-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.97
Rot. Bonds5

About cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 56808711) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
PubChem CID56808711
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC Namecyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2cc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H22N2OS2/c21-18(13-3-4-13)20-7-5-15(6-8-20)19-11-16-10-14(12-23-16)17-2-1-9-22-17/h1-2,9-10,12-13,15,19H,3-8,11H2
InChIKeyYRUMMHCSJDOVPB-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43434784
1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670
4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 63454108
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
2,6-dimethyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009935
(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95292850

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone (CID 56808711) is cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCc2cc(-c3cccs3)cs2)CC1.
What is the InChIKey of cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is YRUMMHCSJDOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS2/c21-18(13-3-4-13)20-7-5-15(6-8-20)19-11-16-10-14(12-23-16)17-2-1-9-22-17/h1-2,9-10,12-13,15,19H,3-8,11H2.
What are the key properties of cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 346.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 56808711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).