azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone

C16H28N2O — CID 64569542

IUPACazepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(14-9-2-1-5-11-17-14)18-12-6-10-15(18)13-7-3-4-8-13/h13-15,17H,1-12H2
InChIKeyRDARLSIGNZVJFY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds2

About azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone

azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 64569542) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID64569542
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameazepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(14-9-2-1-5-11-17-14)18-12-6-10-15(18)13-7-3-4-8-13/h13-15,17H,1-12H2
InChIKeyRDARLSIGNZVJFY-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-piperazin-2-ylmethanone
CID 63103464
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
CID 114424404
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
6-azabicyclo[3.2.0]heptan-6-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 130677988
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(pyrrolidin-2-yl)methanone
CID 60793290
(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22880971
1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 64569542) is azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone is O=C(C1CCCCCN1)N1CCCC1C1CCCC1.
What is the InChIKey of azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is RDARLSIGNZVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(14-9-2-1-5-11-17-14)18-12-6-10-15(18)13-7-3-4-8-13/h13-15,17H,1-12H2.
What are the key properties of azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone?
azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 64569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).