[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone

C18H25NO2 — CID 126671401

IUPAC[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(OCC2CCCC2)c1)N1CCCCC1
InChIInChI=1S/C18H25NO2/c20-18(19-11-4-1-5-12-19)16-9-6-10-17(13-16)21-14-15-7-2-3-8-15/h6,9-10,13,15H,1-5,7-8,11-12,14H2
InChIKeyXSLRVXNZJHWDEK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.88
Rot. Bonds4

About [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone

[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone (PubChem CID 126671401) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
PubChem CID126671401
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(OCC2CCCC2)c1)N1CCCCC1
InChIInChI=1S/C18H25NO2/c20-18(19-11-4-1-5-12-19)16-9-6-10-17(13-16)21-14-15-7-2-3-8-15/h6,9-10,13,15H,1-5,7-8,11-12,14H2
InChIKeyXSLRVXNZJHWDEK-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
[(2S)-oxolan-2-yl]-[(3R)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900912
[(2S)-oxolan-2-yl]-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900914
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
2-ethoxy-1-[3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 50846653
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
1-[4-[3-(cyclohexylmethoxy)benzoyl]piperazin-1-yl]-2-pyridazin-3-ylethanone
CID 58347728
[3-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 154880038
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone (CID 126671401) is [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(OCC2CCCC2)c1)N1CCCCC1.
What is the InChIKey of [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone?
The InChIKey is XSLRVXNZJHWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(19-11-4-1-5-12-19)16-9-6-10-17(13-16)21-14-15-7-2-3-8-15/h6,9-10,13,15H,1-5,7-8,11-12,14H2.
What are the key properties of [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone?
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone has a molecular weight of 287.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 126671401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).