1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one

C23H29NO2 — CID 57221143

IUPAC1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Oc2cccc(C)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H29NO2/c1-3-4-13-23(25)24-15-14-22(26-20-12-8-9-18(2)16-20)21(17-24)19-10-6-5-7-11-19/h5-12,16,21-22H,3-4,13-15,17H2,1-2H3
InChIKeyXYYXDALJPOBDOC-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one

1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one (PubChem CID 57221143) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one
PubChem CID57221143
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Oc2cccc(C)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H29NO2/c1-3-4-13-23(25)24-15-14-22(26-20-12-8-9-18(2)16-20)21(17-24)19-10-6-5-7-11-19/h5-12,16,21-22H,3-4,13-15,17H2,1-2H3
InChIKeyXYYXDALJPOBDOC-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
(3R)-1-[5-(3-methylphenoxy)pentanoyl]piperidine-3-carboxylic acid
CID 124576583
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
1-[(3S,4S)-4-(dimethylamino)-3-[(3-methylphenyl)methyl]piperidin-1-yl]pentan-1-one
CID 102033569
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
(E)-but-2-enedioic acid;(3R,4S)-1-methyl-4-(4-methylphenoxy)-3-phenylpiperidine
CID 86738223
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one (CID 57221143) is 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(Oc2cccc(C)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one?
The InChIKey is XYYXDALJPOBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-4-13-23(25)24-15-14-22(26-20-12-8-9-18(2)16-20)21(17-24)19-10-6-5-7-11-19/h5-12,16,21-22H,3-4,13-15,17H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one?
1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one has a molecular weight of 351.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 57221143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).