1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one

C17H26N2O2 — CID 110441101

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(4-2)15-10-12-19(14-15)17(20)11-13-21-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFZQRAOAYJPMMSN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds7

About 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one

1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110441101) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
PubChem CID110441101
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(4-2)15-10-12-19(14-15)17(20)11-13-21-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFZQRAOAYJPMMSN-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
1-[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 124831614
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one (CID 110441101) is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one is CCN(CC)C1CCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is FZQRAOAYJPMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18(4-2)15-10-12-19(14-15)17(20)11-13-21-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110441101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).