1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C21H26N2O3 — CID 70742706

IUPAC1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1ccc(OCC2CCCN(C(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-7-9-20(10-8-19)26-16-18-5-3-13-23(15-18)21(24)11-6-17-4-2-12-22-14-17/h2,4,7-10,12,14,18H,3,5-6,11,13,15-16H2,1H3
InChIKeyWXVAPGCJIMVRIH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds7

About 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 70742706) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID70742706
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1ccc(OCC2CCCN(C(=O)CCc3cccnc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-7-9-20(10-8-19)26-16-18-5-3-13-23(15-18)21(24)11-6-17-4-2-12-22-14-17/h2,4,7-10,12,14,18H,3,5-6,11,13,15-16H2,1H3
InChIKeyWXVAPGCJIMVRIH-UHFFFAOYSA-N
XLogP3.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
(E)-3-(4-methoxyphenyl)-1-[(3S)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 92763270
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70772405
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 70742706) is 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is COc1ccc(OCC2CCCN(C(=O)CCc3cccnc3)C2)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is WXVAPGCJIMVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-7-9-20(10-8-19)26-16-18-5-3-13-23(15-18)21(24)11-6-17-4-2-12-22-14-17/h2,4,7-10,12,14,18H,3,5-6,11,13,15-16H2,1H3.
What are the key properties of 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 70742706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).