[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

C17H24N2O3 — CID 95293500

IUPAC[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1
InChIInChI=1S/C17H24N2O3/c1-18(2)15-7-3-5-13(11-15)16(20)19-8-4-6-14(12-19)17-21-9-10-22-17/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyQRNHGYXDBGZZTJ-CQSZACIVSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds3

About [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (PubChem CID 95293500) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
PubChem CID95293500
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1
InChIInChI=1S/C17H24N2O3/c1-18(2)15-7-3-5-13(11-15)16(20)19-8-4-6-14(12-19)17-21-9-10-22-17/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyQRNHGYXDBGZZTJ-CQSZACIVSA-N
XLogP1.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 136528149
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone (CID 95293500) is [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The InChIKey is QRNHGYXDBGZZTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(2)15-7-3-5-13(11-15)16(20)19-8-4-6-14(12-19)17-21-9-10-22-17/h3,5,7,11,14,17H,4,6,8-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95293500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).