(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone

C14H24N2O2 — CID 114459956

IUPAC(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
SMILESCC(C)(C)C1=CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12/h4,12,15H,5-10H2,1-3H3
InChIKeyKUEWDDVDMDKPIH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds1

About (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone (PubChem CID 114459956) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
PubChem CID114459956
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone
SMILESCC(C)(C)C1=CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12/h4,12,15H,5-10H2,1-3H3
InChIKeyKUEWDDVDMDKPIH-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

morpholin-3-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489846
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-4-ylethanone
CID 58525186
(4-methylmorpholin-3-yl)-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176979331
N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-morpholin-4-ylethyl]acetamide
CID 50982549
2-[2-(Cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 60638690
2-(Cyclohex-3-en-1-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 61808975
N-[2-(cyclohexen-1-yl)ethyl]morpholine-3-carboxamide
CID 65517776
N-(cyclohex-3-en-1-ylmethyl)morpholine-3-carboxamide
CID 65520288
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83096842
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83099286

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone?
The IUPAC name of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone (CID 114459956) is (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone is CC(C)(C)C1=CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone?
The InChIKey is KUEWDDVDMDKPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12/h4,12,15H,5-10H2,1-3H3.
What are the key properties of (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone?
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 114459956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).