cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone

C19H27NO3 — CID 46028918

IUPACcyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cccc(COC2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C19H27NO3/c1-22-17-9-4-6-15(12-17)14-23-18-10-5-11-20(13-18)19(21)16-7-2-3-8-16/h4,6,9,12,16,18H,2-3,5,7-8,10-11,13-14H2,1H3
InChIKeyHDTHJGDUCUCCJR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.39
Rot. Bonds5

About cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone

cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028918) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028918
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namecyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cccc(COC2CCCN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C19H27NO3/c1-22-17-9-4-6-15(12-17)14-23-18-10-5-11-20(13-18)19(21)16-7-2-3-8-16/h4,6,9,12,16,18H,2-3,5,7-8,10-11,13-14H2,1H3
InChIKeyHDTHJGDUCUCCJR-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
methyl 3-[4-(cyclohexanecarbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate
CID 45163850
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
cyclopentyl-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46153645
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639401
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone (CID 46028918) is cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone is COc1cccc(COC2CCCN(C(=O)C3CCCC3)C2)c1.
What is the InChIKey of cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is HDTHJGDUCUCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-17-9-4-6-15(12-17)14-23-18-10-5-11-20(13-18)19(21)16-7-2-3-8-16/h4,6,9,12,16,18H,2-3,5,7-8,10-11,13-14H2,1H3.
What are the key properties of cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).