4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

C23H24ClN3O2S — CID 24819482

IUPAC4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C23H24ClN3O2S/c24-22-9-8-21(30-22)16-27-13-10-20(11-14-27)29-19-6-4-17(5-7-19)23(28)26-15-18-3-1-2-12-25-18/h1-9,12,20H,10-11,13-16H2,(H,26,28)
InChIKeyDUZHYHYGCSPEGE-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.77
Rot. Bonds7

About 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24819482) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24819482
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C23H24ClN3O2S/c24-22-9-8-21(30-22)16-27-13-10-20(11-14-27)29-19-6-4-17(5-7-19)23(28)26-15-18-3-1-2-12-25-18/h1-9,12,20H,10-11,13-16H2,(H,26,28)
InChIKeyDUZHYHYGCSPEGE-UHFFFAOYSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24819482) is 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DUZHYHYGCSPEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c24-22-9-8-21(30-22)16-27-13-10-20(11-14-27)29-19-6-4-17(5-7-19)23(28)26-15-18-3-1-2-12-25-18/h1-9,12,20H,10-11,13-16H2,(H,26,28).
What are the key properties of 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 441.98 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24819482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).