[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H27N3O — CID 63107797

IUPAC[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)18-16-8-6-5-7-15(16)17(21)20-11-9-19(10-12-20)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyZFLDNRCAKNYRDT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.67
Rot. Bonds4

About [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 63107797) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID63107797
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-13(2)18-16-8-6-5-7-15(16)17(21)20-11-9-19(10-12-20)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyZFLDNRCAKNYRDT-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

(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
[2-(propan-2-ylamino)phenyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63108138
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 64599208
(2-iodo-3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039262
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
(5-bromonaphthalen-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 171661821
(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515

Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 63107797) is [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)Nc1ccccc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZFLDNRCAKNYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)18-16-8-6-5-7-15(16)17(21)20-11-9-19(10-12-20)14(3)4/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-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 [2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 63107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).