3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

C21H21FN4O2 — CID 131900746

IUPAC3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H21FN4O2/c22-17-11-15(13-23)10-16(12-17)21(28)25-19-6-4-18(5-7-19)24-20(27)14-26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9,14H2,(H,24,27)(H,25,28)
InChIKeyUCKMVHLYVSDPDR-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.37
Rot. Bonds5

About 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide

3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (PubChem CID 131900746) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
PubChem CID131900746
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)c1
InChIInChI=1S/C21H21FN4O2/c22-17-11-15(13-23)10-16(12-17)21(28)25-19-6-4-18(5-7-19)24-20(27)14-26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9,14H2,(H,24,27)(H,25,28)
InChIKeyUCKMVHLYVSDPDR-UHFFFAOYSA-N
XLogP3.37
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808
N-phenyl-3-[[3-(phenylcarbamoyl)-5-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamoylamino]-5-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 25180071
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-5-fluoro-2-iodobenzamide
CID 60622476
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide (CID 131900746) is 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is N#Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)c1.
What is the InChIKey of 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
The InChIKey is UCKMVHLYVSDPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-11-15(13-23)10-16(12-17)21(28)25-19-6-4-18(5-7-19)24-20(27)14-26-8-2-1-3-9-26/h4-7,10-12H,1-3,8-9,14H2,(H,24,27)(H,25,28).
What are the key properties of 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide?
3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 131900746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).