2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C18H19Cl2N3O — CID 55735153

IUPAC2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O/c19-14-5-6-16(20)15(10-14)18(24)22-12-13-4-7-17(21-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24)
InChIKeyMMIAJSDHNCVQMZ-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.31
Rot. Bonds4

About 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55735153) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55735153
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O/c19-14-5-6-16(20)15(10-14)18(24)22-12-13-4-7-17(21-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24)
InChIKeyMMIAJSDHNCVQMZ-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
2-methyl-5-methylsulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832353
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55735153) is 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is MMIAJSDHNCVQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-14-5-6-16(20)15(10-14)18(24)22-12-13-4-7-17(21-11-13)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24).
What are the key properties of 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 364.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55735153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).