3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide

C21H24N2O3 — CID 56863001

IUPAC3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O3/c22-20(24)12-14-23-13-4-5-17(15-23)21(25)16-8-10-19(11-9-16)26-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-15H2,(H2,22,24)
InChIKeyWHTLISDHOWTSSH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds7

About 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide

3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide (PubChem CID 56863001) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
PubChem CID56863001
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
SMILESNC(=O)CCN1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O3/c22-20(24)12-14-23-13-4-5-17(15-23)21(25)16-8-10-19(11-9-16)26-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-15H2,(H2,22,24)
InChIKeyWHTLISDHOWTSSH-UHFFFAOYSA-N
XLogP3.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 56868361
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide (CID 56863001) is 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide is NC(=O)CCN1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide?
The InChIKey is WHTLISDHOWTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-20(24)12-14-23-13-4-5-17(15-23)21(25)16-8-10-19(11-9-16)26-18-6-2-1-3-7-18/h1-3,6-11,17H,4-5,12-15H2,(H2,22,24).
What are the key properties of 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide?
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56863001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).