(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone

C18H34N2O — CID 63163762

IUPAC(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(CC)(CC)CC2)CCCNC1
InChIInChI=1S/C18H34N2O/c1-4-8-18(9-7-12-19-15-18)16(21)20-13-10-17(5-2,6-3)11-14-20/h19H,4-15H2,1-3H3
InChIKeyGMBINXUFXCKTTJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.59
Rot. Bonds5

About (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone

(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 63163762) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID63163762
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(CC)(CC)CC2)CCCNC1
InChIInChI=1S/C18H34N2O/c1-4-8-18(9-7-12-19-15-18)16(21)20-13-10-17(5-2,6-3)11-14-20/h19H,4-15H2,1-3H3
InChIKeyGMBINXUFXCKTTJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63217718
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(3-propylpiperidin-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743759
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819

Frequently Asked Questions

What is the IUPAC name of (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone (CID 63163762) is (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CCC(CC)(CC)CC2)CCCNC1.
What is the InChIKey of (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is GMBINXUFXCKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-8-18(9-7-12-19-15-18)16(21)20-13-10-17(5-2,6-3)11-14-20/h19H,4-15H2,1-3H3.
What are the key properties of (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 294.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 63163762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).