[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone

C19H23N3O — CID 58968593

IUPAC[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-18-9-5-16(6-10-18)19(23)22-13-11-21(2)12-14-22/h3-10,20H,11-14H2,1-2H3
InChIKeyMNBIRQWELNRIPS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds3

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

[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 58968593) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID58968593
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-18-9-5-16(6-10-18)19(23)22-13-11-21(2)12-14-22/h3-10,20H,11-14H2,1-2H3
InChIKeyMNBIRQWELNRIPS-UHFFFAOYSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-[(2-chloro-6-methylpyrimidin-4-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 108776754
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-[(5-bromo-4-methylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 143387714
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 58968593) is [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MNBIRQWELNRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-18-9-5-16(6-10-18)19(23)22-13-11-21(2)12-14-22/h3-10,20H,11-14H2,1-2H3.
What are the key properties of [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 58968593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).