4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide

C20H24ClN3O2S — CID 131912914

IUPAC4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-2-19(25)23-18-12-14(21)5-6-17(18)20(26)22-15-7-9-24(10-8-15)13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyGWBCYLDZGYLVAA-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.14
Rot. Bonds6

About 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide

4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 131912914) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID131912914
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-2-19(25)23-18-12-14(21)5-6-17(18)20(26)22-15-7-9-24(10-8-15)13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyGWBCYLDZGYLVAA-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide (CID 131912914) is 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is GWBCYLDZGYLVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-2-19(25)23-18-12-14(21)5-6-17(18)20(26)22-15-7-9-24(10-8-15)13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 405.95 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 131912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).