[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

C17H27N3O — CID 114540449

IUPAC[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-5-10-18-16-8-6-15(7-9-16)17(21)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyFKNDOHQMLIZTRX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.67
Rot. Bonds4

About [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114540449) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114540449
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-5-10-18-16-8-6-15(7-9-16)17(21)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyFKNDOHQMLIZTRX-UHFFFAOYSA-N
XLogP2.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
1-methyl-4-[4-(propylamino)benzoyl]-1,4-diazepan-2-one
CID 102892326
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662268
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114540449) is [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is CCCNc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1.
What is the InChIKey of [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is FKNDOHQMLIZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-10-18-16-8-6-15(7-9-16)17(21)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114540449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).