3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide

C18H17N3O3 — CID 38209527

IUPAC3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H17N3O3/c19-11-13-2-1-3-14(10-13)17(22)20-16-4-7-21(8-5-16)18(23)15-6-9-24-12-15/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,22)
InChIKeyYZNNOMVEELTSBF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds3

About 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide

3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 38209527) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID38209527
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H17N3O3/c19-11-13-2-1-3-14(10-13)17(22)20-16-4-7-21(8-5-16)18(23)15-6-9-24-12-15/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,22)
InChIKeyYZNNOMVEELTSBF-UHFFFAOYSA-N
XLogP2.19
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 110820149
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide (CID 38209527) is 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide is N#Cc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is YZNNOMVEELTSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-11-13-2-1-3-14(10-13)17(22)20-16-4-7-21(8-5-16)18(23)15-6-9-24-12-15/h1-3,6,9-10,12,16H,4-5,7-8H2,(H,20,22).
What are the key properties of 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide?
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 38209527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).