[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone

C18H21N3O — CID 91665654

IUPAC[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cccc(N)c3)cc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-9-11-21(12-10-20)18(22)15-7-5-14(6-8-15)16-3-2-4-17(19)13-16/h2-8,13H,9-12,19H2,1H3
InChIKeyIHOSOLSRASCADD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.32
Rot. Bonds2

About [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 91665654) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID91665654
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cccc(N)c3)cc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-9-11-21(12-10-20)18(22)15-7-5-14(6-8-15)16-3-2-4-17(19)13-16/h2-8,13H,9-12,19H2,1H3
InChIKeyIHOSOLSRASCADD-UHFFFAOYSA-N
XLogP2.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone
CID 25253608
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
CID 174584749
CID 174584749
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 91665654) is [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cccc(N)c3)cc2)CC1.
What is the InChIKey of [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IHOSOLSRASCADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-9-11-21(12-10-20)18(22)15-7-5-14(6-8-15)16-3-2-4-17(19)13-16/h2-8,13H,9-12,19H2,1H3.
What are the key properties of [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 91665654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).