N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide

C22H27N3O3 — CID 3161440

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-19-8-6-7-18(15-19)22(27)23-20-9-4-5-10-21(20)25-13-11-24(12-14-25)17(3)26/h4-10,15-16H,11-14H2,1-3H3,(H,23,27)
InChIKeyALPBFOXFRQXJDO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 3161440) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
PubChem CID3161440
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-19-8-6-7-18(15-19)22(27)23-20-9-4-5-10-21(20)25-13-11-24(12-14-25)17(3)26/h4-10,15-16H,11-14H2,1-3H3,(H,23,27)
InChIKeyALPBFOXFRQXJDO-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17116177
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 57327095
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
CID 41316307
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide (CID 3161440) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OC(C)C)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is ALPBFOXFRQXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)28-19-8-6-7-18(15-19)22(27)23-20-9-4-5-10-21(20)25-13-11-24(12-14-25)17(3)26/h4-10,15-16H,11-14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 3161440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).