(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

C14H24N2O2 — CID 114172275

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC=C(C)C1
InChIInChI=1S/C14H24N2O2/c1-3-6-15-13-10-18-9-12(13)14(17)16-7-4-5-11(2)8-16/h5,12-13,15H,3-4,6-10H2,1-2H3
InChIKeyMSZVDAJKPMJWLN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds4

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 114172275) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID114172275
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC=C(C)C1
InChIInChI=1S/C14H24N2O2/c1-3-6-15-13-10-18-9-12(13)14(17)16-7-4-5-11(2)8-16/h5,12-13,15H,3-4,6-10H2,1-2H3
InChIKeyMSZVDAJKPMJWLN-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
(4-ethyl-4-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256554
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 81203463
[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66254425
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 114797463
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593120
(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 107392404
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 114172275) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCC=C(C)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is MSZVDAJKPMJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-15-13-10-18-9-12(13)14(17)16-7-4-5-11(2)8-16/h5,12-13,15H,3-4,6-10H2,1-2H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 252.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114172275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).