2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C18H19Cl2N3O — CID 47058964

IUPAC2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O/c19-13-4-5-16(17(20)11-13)18(24)22-14-6-9-23(10-7-14)12-15-3-1-2-8-21-15/h1-5,8,11,14H,6-7,9-10,12H2,(H,22,24)
InChIKeyHAUZEROVTILWJN-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.78
Rot. Bonds4

About 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 47058964) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID47058964
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O/c19-13-4-5-16(17(20)11-13)18(24)22-14-6-9-23(10-7-14)12-15-3-1-2-8-21-15/h1-5,8,11,14H,6-7,9-10,12H2,(H,22,24)
InChIKeyHAUZEROVTILWJN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6-trichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 55857963
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56504110
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 47058964) is 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is HAUZEROVTILWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-13-4-5-16(17(20)11-13)18(24)22-14-6-9-23(10-7-14)12-15-3-1-2-8-21-15/h1-5,8,11,14H,6-7,9-10,12H2,(H,22,24).
What are the key properties of 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 364.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 47058964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).