3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C19H20N4O — CID 121108732

IUPAC3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H20N4O/c20-13-16-2-1-3-17(12-16)19(24)22-14-15-6-10-23(11-7-15)18-4-8-21-9-5-18/h1-5,8-9,12,15H,6-7,10-11,14H2,(H,22,24)
InChIKeyFATDKRQDDXOXNB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.60
Rot. Bonds4

About 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 121108732) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID121108732
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H20N4O/c20-13-16-2-1-3-17(12-16)19(24)22-14-15-6-10-23(11-7-15)18-4-8-21-9-5-18/h1-5,8-9,12,15H,6-7,10-11,14H2,(H,22,24)
InChIKeyFATDKRQDDXOXNB-UHFFFAOYSA-N
XLogP2.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-cyanophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396259
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]acetate
CID 18918357
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396254
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
3-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109949
3-cyano-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 110405088
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 121108732) is 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is N#Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FATDKRQDDXOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-13-16-2-1-3-17(12-16)19(24)22-14-15-6-10-23(11-7-15)18-4-8-21-9-5-18/h1-5,8-9,12,15H,6-7,10-11,14H2,(H,22,24).
What are the key properties of 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 121108732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).