1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C16H24N2OS — CID 29181741

IUPAC1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC[C@H](CN2CCCC2)C1
InChIInChI=1S/C16H24N2OS/c19-16(10-14-5-9-20-13-14)18-8-3-4-15(12-18)11-17-6-1-2-7-17/h5,9,13,15H,1-4,6-8,10-12H2/t15-/m1/s1
InChIKeyIYLUHQGKNZKGGN-OAHLLOKOSA-N
MW292.45 g/mol
LogP2.62
Rot. Bonds4

About 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 29181741) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID29181741
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC[C@H](CN2CCCC2)C1
InChIInChI=1S/C16H24N2OS/c19-16(10-14-5-9-20-13-14)18-8-3-4-15(12-18)11-17-6-1-2-7-17/h5,9,13,15H,1-4,6-8,10-12H2/t15-/m1/s1
InChIKeyIYLUHQGKNZKGGN-OAHLLOKOSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70788695
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 72929801
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one
CID 16672134
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 29181741) is 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC[C@H](CN2CCCC2)C1.
What is the InChIKey of 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is IYLUHQGKNZKGGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(10-14-5-9-20-13-14)18-8-3-4-15(12-18)11-17-6-1-2-7-17/h5,9,13,15H,1-4,6-8,10-12H2/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 292.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 29181741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).