(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one

C19H29NO4 — CID 94669739

IUPAC(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one
SMILESCCOc1ccccc1OC1CCN(C(=O)[C@@H](CC)OCC)CC1
InChIInChI=1S/C19H29NO4/c1-4-16(22-5-2)19(21)20-13-11-15(12-14-20)24-18-10-8-7-9-17(18)23-6-3/h7-10,15-16H,4-6,11-14H2,1-3H3/t16-/m1/s1
InChIKeyUAAYYCGCKLHVOX-MRXNPFEDSA-N
MW335.44 g/mol
LogP3.27
Rot. Bonds8

About (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one

(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one (PubChem CID 94669739) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one
PubChem CID94669739
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one
SMILESCCOc1ccccc1OC1CCN(C(=O)[C@@H](CC)OCC)CC1
InChIInChI=1S/C19H29NO4/c1-4-16(22-5-2)19(21)20-13-11-15(12-14-20)24-18-10-8-7-9-17(18)23-6-3/h7-10,15-16H,4-6,11-14H2,1-3H3/t16-/m1/s1
InChIKeyUAAYYCGCKLHVOX-MRXNPFEDSA-N
XLogP3.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 51092133
4-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]imidazolidin-2-one
CID 71877831
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131
(2R)-2-[2-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 97233707
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552560
N-carbamoyl-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47073341
(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 94666535
(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
CID 95347642
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]-2-ethoxybutan-1-one
CID 138011320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one (CID 94669739) is (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one is CCOc1ccccc1OC1CCN(C(=O)[C@@H](CC)OCC)CC1.
What is the InChIKey of (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one?
The InChIKey is UAAYYCGCKLHVOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-16(22-5-2)19(21)20-13-11-15(12-14-20)24-18-10-8-7-9-17(18)23-6-3/h7-10,15-16H,4-6,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one?
(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one has a molecular weight of 335.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 94669739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).