propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate

C18H25NO3 — CID 56807214

IUPACpropan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
SMILESCC(C)OC(=O)CCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-14(2)22-17(20)10-13-19-11-8-16(9-12-19)18(21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyREENDKQKAXCKDP-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.92
Rot. Bonds6

About propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate

propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate (PubChem CID 56807214) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
PubChem CID56807214
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namepropan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
SMILESCC(C)OC(=O)CCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-14(2)22-17(20)10-13-19-11-8-16(9-12-19)18(21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyREENDKQKAXCKDP-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
CID 95330711
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56811485
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate?
The IUPAC name of propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate (CID 56807214) is propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate.
What is the SMILES notation for propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate?
The canonical SMILES for propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate is CC(C)OC(=O)CCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate?
The InChIKey is REENDKQKAXCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(2)22-17(20)10-13-19-11-8-16(9-12-19)18(21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate?
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate has a molecular weight of 303.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate is sourced from PubChem (CID 56807214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).