(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

C18H21N3O — CID 18069676

IUPAC(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N
InChIInChI=1S/C18H21N3O/c1-14-13-15(7-8-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12,19H2,1H3
InChIKeyCRGCVWCBVWMGNR-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.54
Rot. Bonds2

About (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 18069676) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID18069676
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N
InChIInChI=1S/C18H21N3O/c1-14-13-15(7-8-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12,19H2,1H3
InChIKeyCRGCVWCBVWMGNR-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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

(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
(3-methyl-4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1121255
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354
(2-amino-5-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1254100
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
3-[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 61160837
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 18069676) is (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CRGCVWCBVWMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-13-15(7-8-17(14)19)18(22)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13H,9-12,19H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 18069676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).