3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide

C24H33N3O2 — CID 67680253

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
SMILESCOc1ccccc1N1CCN(C(C(C(N)=O)c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)22(21(23(25)28)18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-20(19)29-4/h5-13,21-22H,14-17H2,1-4H3,(H2,25,28)
InChIKeyBRAYHNCELQMPTB-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.50
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide (PubChem CID 67680253) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
PubChem CID67680253
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
SMILESCOc1ccccc1N1CCN(C(C(C(N)=O)c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C24H33N3O2/c1-24(2,3)22(21(23(25)28)18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-20(19)29-4/h5-13,21-22H,14-17H2,1-4H3,(H2,25,28)
InChIKeyBRAYHNCELQMPTB-UHFFFAOYSA-N
XLogP3.50
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 141443088
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
CID 67612939
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide (CID 67680253) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide is COc1ccccc1N1CCN(C(C(C(N)=O)c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide?
The InChIKey is BRAYHNCELQMPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-24(2,3)22(21(23(25)28)18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-20(19)29-4/h5-13,21-22H,14-17H2,1-4H3,(H2,25,28).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide has a molecular weight of 395.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide is sourced from PubChem (CID 67680253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).