N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C20H23N3O2 — CID 110741149

IUPACN-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2C)cc1
InChIInChI=1S/C20H23N3O2/c1-15-14-22(19-6-4-3-5-7-19)12-13-23(15)20(25)17-8-10-18(11-9-17)21-16(2)24/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyDNINGHHCZVMUFC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds3

About N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide

N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 110741149) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID110741149
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2C)cc1
InChIInChI=1S/C20H23N3O2/c1-15-14-22(19-6-4-3-5-7-19)12-13-23(15)20(25)17-8-10-18(11-9-17)21-16(2)24/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyDNINGHHCZVMUFC-UHFFFAOYSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
N-[4-(2-methyl-5-phenyl-1,3-oxazolidine-3-carbonyl)phenyl]acetamide
CID 110746673
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
N-[4-[(6R)-4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 95815469
methyl 4-[4-(4-indazol-1-ylbenzoyl)-3-methylpiperazin-1-yl]benzoate
CID 166335484
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 110741149) is N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2C)cc1.
What is the InChIKey of N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is DNINGHHCZVMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-14-22(19-6-4-3-5-7-19)12-13-23(15)20(25)17-8-10-18(11-9-17)21-16(2)24/h3-11,15H,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110741149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).