3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

C22H26N4O2 — CID 24732540

IUPAC3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H26N4O2/c1-28-14-13-26(22(27)20-4-2-3-19(15-20)16-23)21-7-11-25(12-8-21)17-18-5-9-24-10-6-18/h2-6,9-10,15,21H,7-8,11-14,17H2,1H3
InChIKeyBWOIBQYNYCCDAF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.71
Rot. Bonds7

About 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 24732540) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
PubChem CID24732540
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESCOCCN(C(=O)c1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H26N4O2/c1-28-14-13-26(22(27)20-4-2-3-19(15-20)16-23)21-7-11-25(12-8-21)17-18-5-9-24-10-6-18/h2-6,9-10,15,21H,7-8,11-14,17H2,1H3
InChIKeyBWOIBQYNYCCDAF-UHFFFAOYSA-N
XLogP2.71
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 24731106
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-4-methylsulfonylbenzamide
CID 24731104
1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730757
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24732608
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (CID 24732540) is 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is COCCN(C(=O)c1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is BWOIBQYNYCCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-14-13-26(22(27)20-4-2-3-19(15-20)16-23)21-7-11-25(12-8-21)17-18-5-9-24-10-6-18/h2-6,9-10,15,21H,7-8,11-14,17H2,1H3.
What are the key properties of 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 24732540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).