(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone

C16H30N2O2 — CID 63131367

IUPAC(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-11-20-14-7-5-10-18(12-14)15(19)16(4-2)8-6-9-17-13-16/h14,17H,3-13H2,1-2H3
InChIKeyHZDQLXURKKVSFP-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds5

About (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone

(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 63131367) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID63131367
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-11-20-14-7-5-10-18(12-14)15(19)16(4-2)8-6-9-17-13-16/h14,17H,3-13H2,1-2H3
InChIKeyHZDQLXURKKVSFP-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
CID 63132317
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(1-morpholin-4-ylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 131925385
(3-ethylpiperidin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199172
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone (CID 63131367) is (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2(CC)CCCNC2)C1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is HZDQLXURKKVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-11-20-14-7-5-10-18(12-14)15(19)16(4-2)8-6-9-17-13-16/h14,17H,3-13H2,1-2H3.
What are the key properties of (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone?
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 63131367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).