(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone

C14H20N2OS — CID 134343386

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H20N2OS/c17-14(12-5-10-18-11-12)16-8-3-13(4-9-16)15-6-1-2-7-15/h5,10-11,13H,1-4,6-9H2
InChIKeyHHBJUNAAFCCRQQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.45
Rot. Bonds2

About (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone

(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 134343386) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID134343386
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H20N2OS/c17-14(12-5-10-18-11-12)16-8-3-13(4-9-16)15-6-1-2-7-15/h5,10-11,13H,1-4,6-9H2
InChIKeyHHBJUNAAFCCRQQ-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone (CID 134343386) is (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is HHBJUNAAFCCRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(12-5-10-18-11-12)16-8-3-13(4-9-16)15-6-1-2-7-15/h5,10-11,13H,1-4,6-9H2.
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
(4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 264.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 134343386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).