[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H30N2O2 — CID 114593120

IUPAC[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCCNC1COCC1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H30N2O2/c1-5-6-17-15-10-20-9-14(15)16(19)18-8-11(2)7-12(3)13(18)4/h11-15,17H,5-10H2,1-4H3
InChIKeyADFAKGGGOVIDSU-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.89
Rot. Bonds4

About [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593120) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593120
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCCNC1COCC1C(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H30N2O2/c1-5-6-17-15-10-20-9-14(15)16(19)18-8-11(2)7-12(3)13(18)4/h11-15,17H,5-10H2,1-4H3
InChIKeyADFAKGGGOVIDSU-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione
CID 66255618
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153
[4-(propylamino)oxolan-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83052187
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587762
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 81203463
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114172275
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593120) is [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CCCNC1COCC1C(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is ADFAKGGGOVIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-6-17-15-10-20-9-14(15)16(19)18-8-11(2)7-12(3)13(18)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).