(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone

C16H22N2OS — CID 103419841

IUPAC(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc(N2CCCCC2)c1C1CC1
InChIInChI=1S/C16H22N2OS/c17-13-12(10-4-5-10)16(18-8-2-1-3-9-18)20-15(13)14(19)11-6-7-11/h10-11H,1-9,17H2
InChIKeyMOXRSLJNNAJYMS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.79
Rot. Bonds4

About (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone

(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone (PubChem CID 103419841) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
PubChem CID103419841
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc(N2CCCCC2)c1C1CC1
InChIInChI=1S/C16H22N2OS/c17-13-12(10-4-5-10)16(18-8-2-1-3-9-18)20-15(13)14(19)11-6-7-11/h10-11H,1-9,17H2
InChIKeyMOXRSLJNNAJYMS-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103524852
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone (CID 103419841) is (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone is Nc1c(C(=O)C2CC2)sc(N2CCCCC2)c1C1CC1.
What is the InChIKey of (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
The InChIKey is MOXRSLJNNAJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-13-12(10-4-5-10)16(18-8-2-1-3-9-18)20-15(13)14(19)11-6-7-11/h10-11H,1-9,17H2.
What are the key properties of (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone?
(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone has a molecular weight of 290.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 103419841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).