3-(3-propoxypiperidin-1-yl)cyclopentan-1-one

C13H23NO2 — CID 79642918

IUPAC3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
SMILESCCCOC1CCCN(C2CCC(=O)C2)C1
InChIInChI=1S/C13H23NO2/c1-2-8-16-13-4-3-7-14(10-13)11-5-6-12(15)9-11/h11,13H,2-10H2,1H3
InChIKeyKDTPVPRCCYMWEG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds4

About 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one

3-(3-propoxypiperidin-1-yl)cyclopentan-1-one (PubChem CID 79642918) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
PubChem CID79642918
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
SMILESCCCOC1CCCN(C2CCC(=O)C2)C1
InChIInChI=1S/C13H23NO2/c1-2-8-16-13-4-3-7-14(10-13)11-5-6-12(15)9-11/h11,13H,2-10H2,1H3
InChIKeyKDTPVPRCCYMWEG-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
CID 79642919
2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
CID 54990280
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
3-(3-propoxypiperidin-1-yl)cyclopentan-1-amine
CID 79469566
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
3-(2-propoxyethoxy)cyclohexan-1-one
CID 79618382
N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80997543

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one (CID 79642918) is 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one is CCCOC1CCCN(C2CCC(=O)C2)C1.
What is the InChIKey of 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one?
The InChIKey is KDTPVPRCCYMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-8-16-13-4-3-7-14(10-13)11-5-6-12(15)9-11/h11,13H,2-10H2,1H3.
What are the key properties of 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one?
3-(3-propoxypiperidin-1-yl)cyclopentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypiperidin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 79642918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).