3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide

C21H24N2O2 — CID 110819130

IUPAC3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O2/c1-2-20(24)23-13-11-19(12-14-23)22-21(25)18-10-6-9-17(15-18)16-7-4-3-5-8-16/h3-10,15,19H,2,11-14H2,1H3,(H,22,25)
InChIKeyAECUSNKGHKZFOR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.48
Rot. Bonds4

About 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide

3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide (PubChem CID 110819130) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
PubChem CID110819130
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O2/c1-2-20(24)23-13-11-19(12-14-23)22-21(25)18-10-6-9-17(15-18)16-7-4-3-5-8-16/h3-10,15,19H,2,11-14H2,1H3,(H,22,25)
InChIKeyAECUSNKGHKZFOR-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-bromo-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzamide
CID 108550869
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide?
The IUPAC name of 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide (CID 110819130) is 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide is CCC(=O)N1CCC(NC(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide?
The InChIKey is AECUSNKGHKZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-20(24)23-13-11-19(12-14-23)22-21(25)18-10-6-9-17(15-18)16-7-4-3-5-8-16/h3-10,15,19H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide?
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110819130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).