5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C19H23ClN2O2S — CID 16896219

IUPAC5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-24-18-5-4-15(20)11-17(18)19(23)21-12-14-6-8-22(9-7-14)13-16-3-2-10-25-16/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,21,23)
InChIKeyULKLPTGJNDMCPA-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.05
Rot. Bonds6

About 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896219) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896219
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-24-18-5-4-15(20)11-17(18)19(23)21-12-14-6-8-22(9-7-14)13-16-3-2-10-25-16/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,21,23)
InChIKeyULKLPTGJNDMCPA-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896219) is 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is ULKLPTGJNDMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-24-18-5-4-15(20)11-17(18)19(23)21-12-14-6-8-22(9-7-14)13-16-3-2-10-25-16/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,21,23).
What are the key properties of 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 378.93 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).