[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

C18H29N3O — CID 70762011

IUPAC[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C
InChIInChI=1S/C18H29N3O/c1-6-16-13-20(10-11-21(16)14(2)3)18(22)15-8-7-9-17(12-15)19(4)5/h7-9,12,14,16H,6,10-11,13H2,1-5H3
InChIKeySPQPSLCAZFWUJF-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.70
Rot. Bonds4

About [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone

[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70762011) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70762011
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C
InChIInChI=1S/C18H29N3O/c1-6-16-13-20(10-11-21(16)14(2)3)18(22)15-8-7-9-17(12-15)19(4)5/h7-9,12,14,16H,6,10-11,13H2,1-5H3
InChIKeySPQPSLCAZFWUJF-UHFFFAOYSA-N
XLogP2.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
CID 126434276
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 127244521
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone (CID 70762011) is [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SPQPSLCAZFWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-6-16-13-20(10-11-21(16)14(2)3)18(22)15-8-7-9-17(12-15)19(4)5/h7-9,12,14,16H,6,10-11,13H2,1-5H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 303.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70762011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).