[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H29N3OS — CID 11624178

IUPAC[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C18H29N3OS/c1-15(2)20-8-10-21(11-9-20)18(22)16-12-17(23-14-16)13-19-6-4-3-5-7-19/h12,14-15H,3-11,13H2,1-2H3
InChIKeyLGPIFXWDEIPTNC-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.90
Rot. Bonds4

About [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11624178) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11624178
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C18H29N3OS/c1-15(2)20-8-10-21(11-9-20)18(22)16-12-17(23-14-16)13-19-6-4-3-5-7-19/h12,14-15H,3-11,13H2,1-2H3
InChIKeyLGPIFXWDEIPTNC-UHFFFAOYSA-N
XLogP2.90
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11624178) is [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)c2)CC1.
What is the InChIKey of [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LGPIFXWDEIPTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-15(2)20-8-10-21(11-9-20)18(22)16-12-17(23-14-16)13-19-6-4-3-5-7-19/h12,14-15H,3-11,13H2,1-2H3.
What are the key properties of [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 335.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(piperidin-1-ylmethyl)thiophen-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11624178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).