3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one

C19H27NO3 — CID 112536917

IUPAC3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCC(C(=O)CC)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-18(21)16-11-13-20(14-12-16)19(22)10-7-15-5-8-17(9-6-15)23-4-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3
InChIKeyMBOOASGGKKKNBO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.24
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one

3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 112536917) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
PubChem CID112536917
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCC(C(=O)CC)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-18(21)16-11-13-20(14-12-16)19(22)10-7-15-5-8-17(9-6-15)23-4-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3
InChIKeyMBOOASGGKKKNBO-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
3-(4-ethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51092050
ethyl 1-[3-(4-ethoxyphenyl)propanoyl]-3-oxopiperidine-4-carboxylate
CID 112533708
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
CID 120559552
1-[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-3-(4-ethoxyphenyl)propan-1-one
CID 97369396

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one (CID 112536917) is 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one is CCOc1ccc(CCC(=O)N2CCC(C(=O)CC)CC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is MBOOASGGKKKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-18(21)16-11-13-20(14-12-16)19(22)10-7-15-5-8-17(9-6-15)23-4-2/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 112536917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).