1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one

C17H25ClN2O — CID 63164795

IUPAC1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-4-19(5-2)16-10-11-20(12-16)13(3)17(21)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyOVRPWQVGBMZSOS-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one

1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 63164795) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID63164795
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-4-19(5-2)16-10-11-20(12-16)13(3)17(21)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyOVRPWQVGBMZSOS-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(4-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165624
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 63169579
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one (CID 63164795) is 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one is CCN(CC)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is OVRPWQVGBMZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-19(5-2)16-10-11-20(12-16)13(3)17(21)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one?
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 308.85 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63164795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).