3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C19H21Cl2N3O2 — CID 55735028

IUPAC3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-26-18-15(20)9-14(10-16(18)21)19(25)23-12-13-5-6-17(22-11-13)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,23,25)
InChIKeyAWCUXAYPXSYFPS-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.32
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55735028) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55735028
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-26-18-15(20)9-14(10-16(18)21)19(25)23-12-13-5-6-17(22-11-13)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,23,25)
InChIKeyAWCUXAYPXSYFPS-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
3,4-dimethoxy-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 38529032
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55735028) is 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is COc1c(Cl)cc(C(=O)NCc2ccc(N3CCCCC3)nc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is AWCUXAYPXSYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-26-18-15(20)9-14(10-16(18)21)19(25)23-12-13-5-6-17(22-11-13)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,23,25).
What are the key properties of 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55735028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).