N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

C21H24N4O3 — CID 17489391

IUPACN-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-15(26)22-18-12-17(13-19(14-18)23-16(2)27)21(28)25-10-8-24(9-11-25)20-6-4-3-5-7-20/h3-7,12-14H,8-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYLSOZXAKSJZNJJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.57
Rot. Bonds4

About N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide

N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 17489391) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID17489391
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-15(26)22-18-12-17(13-19(14-18)23-16(2)27)21(28)25-10-8-24(9-11-25)20-6-4-3-5-7-20/h3-7,12-14H,8-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYLSOZXAKSJZNJJ-UHFFFAOYSA-N
XLogP2.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 30855230
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 24610391
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 17489391) is N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is YLSOZXAKSJZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)22-18-12-17(13-19(14-18)23-16(2)27)21(28)25-10-8-24(9-11-25)20-6-4-3-5-7-20/h3-7,12-14H,8-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17489391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).