(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one

C23H29NO2 — CID 42245855

IUPAC(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
SMILESCOCC1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2C)CC1
InChIInChI=1S/C23H29NO2/c1-18-8-6-7-11-21(18)22(20-9-4-3-5-10-20)16-23(25)24-14-12-19(13-15-24)17-26-2/h3-11,19,22H,12-17H2,1-2H3/t22-/m1/s1
InChIKeySTZZMVUSVOMEIJ-JOCHJYFZSA-N
MW351.49 g/mol
LogP4.40
Rot. Bonds6

About (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one

(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one (PubChem CID 42245855) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
PubChem CID42245855
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
SMILESCOCC1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2C)CC1
InChIInChI=1S/C23H29NO2/c1-18-8-6-7-11-21(18)22(20-9-4-3-5-10-20)16-23(25)24-14-12-19(13-15-24)17-26-2/h3-11,19,22H,12-17H2,1-2H3/t22-/m1/s1
InChIKeySTZZMVUSVOMEIJ-JOCHJYFZSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 25279258
N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 72877580
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-3,3-bis(2-methylphenyl)propan-1-one
CID 24794732
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(2-methylphenyl)butan-1-one;hydrochloride
CID 119543597
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one (CID 42245855) is (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one is COCC1CCN(C(=O)C[C@H](c2ccccc2)c2ccccc2C)CC1.
What is the InChIKey of (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is STZZMVUSVOMEIJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18-8-6-7-11-21(18)22(20-9-4-3-5-10-20)16-23(25)24-14-12-19(13-15-24)17-26-2/h3-11,19,22H,12-17H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one?
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 351.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 42245855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).