N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide

C21H23N3O3 — CID 110365637

IUPACN-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-6-3-4-9-19(15)21(27)24-12-10-23(11-13-24)20(26)17-7-5-8-18(14-17)22-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyIFIFFTKFPRSHIA-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.55
Rot. Bonds3

About N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide

N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 110365637) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID110365637
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-6-3-4-9-19(15)21(27)24-12-10-23(11-13-24)20(26)17-7-5-8-18(14-17)22-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyIFIFFTKFPRSHIA-UHFFFAOYSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 6461156
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
N-[3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carbonyl]phenyl]acetamide
CID 35005648
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021512

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide (CID 110365637) is N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is IFIFFTKFPRSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-6-3-4-9-19(15)21(27)24-12-10-23(11-13-24)20(26)17-7-5-8-18(14-17)22-16(2)25/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110365637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).