3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C16H29N3O — CID 79639773

IUPAC3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CCCC(OCC)C2)C1
InChIInChI=1S/C16H29N3O/c1-3-9-18-16(13-17)8-7-14(11-16)19-10-5-6-15(12-19)20-4-2/h14-15,18H,3-12H2,1-2H3
InChIKeyFPGLWBIPRMJEPK-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds6

About 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639773) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639773
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CCCC(OCC)C2)C1
InChIInChI=1S/C16H29N3O/c1-3-9-18-16(13-17)8-7-14(11-16)19-10-5-6-15(12-19)20-4-2/h14-15,18H,3-12H2,1-2H3
InChIKeyFPGLWBIPRMJEPK-UHFFFAOYSA-N
XLogP2.30
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
CID 79656230
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 114596275
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639773) is 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N2CCCC(OCC)C2)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is FPGLWBIPRMJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-9-18-16(13-17)8-7-14(11-16)19-10-5-6-15(12-19)20-4-2/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 279.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).