1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone

C14H27N3O2 — CID 66428750

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone
SMILESCCN(CC)C1CCN(C(=O)CC2CNCCO2)C1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-7-17(11-12)14(18)9-13-10-15-6-8-19-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRPHMAUKIEMHIJO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds5

About 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone

1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 66428750) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone
PubChem CID66428750
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone
SMILESCCN(CC)C1CCN(C(=O)CC2CNCCO2)C1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-7-17(11-12)14(18)9-13-10-15-6-8-19-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRPHMAUKIEMHIJO-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
2-morpholin-2-yl-1-(3-propoxypiperidin-1-yl)ethanone
CID 66427238
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone
CID 113399198

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone (CID 66428750) is 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone is CCN(CC)C1CCN(C(=O)CC2CNCCO2)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is RPHMAUKIEMHIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-7-17(11-12)14(18)9-13-10-15-6-8-19-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone?
1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 269.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 66428750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).