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

C21H25N3O2 — CID 110662564

IUPACN-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(C)N(c3ccccc3)C(C)C2)c1
InChIInChI=1S/C21H25N3O2/c1-15-13-23(14-16(2)24(15)20-10-5-4-6-11-20)21(26)18-8-7-9-19(12-18)22-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,22,25)
InChIKeyVUAVBERVCVLNIQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.38
Rot. Bonds3

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

N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 110662564) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID110662564
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(C)N(c3ccccc3)C(C)C2)c1
InChIInChI=1S/C21H25N3O2/c1-15-13-23(14-16(2)24(15)20-10-5-4-6-11-20)21(26)18-8-7-9-19(12-18)22-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,22,25)
InChIKeyVUAVBERVCVLNIQ-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106671409
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
(3S,4S)-1-(3-acetamidobenzoyl)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 166317665
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide
CID 120744908
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[2-[(3S)-3-amino-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]acetamide
CID 69147922
N-[3-(2-methyl-5-phenyl-1,3-oxazolidine-3-carbonyl)phenyl]acetamide
CID 110746668
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide (CID 110662564) is N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CC(C)N(c3ccccc3)C(C)C2)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is VUAVBERVCVLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-13-23(14-16(2)24(15)20-10-5-4-6-11-20)21(26)18-8-7-9-19(12-18)22-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide?
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110662564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).