4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one

C18H29N3O — CID 120565406

IUPAC4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H29N3O/c1-15(19)9-10-17(22)20-11-12-21(18(2,3)14-20)13-16-7-5-4-6-8-16/h4-8,15H,9-14,19H2,1-3H3
InChIKeyFDRXUKLGBIKLGB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.24
Rot. Bonds5

About 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one

4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one (PubChem CID 120565406) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
PubChem CID120565406
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H29N3O/c1-15(19)9-10-17(22)20-11-12-21(18(2,3)14-20)13-16-7-5-4-6-8-16/h4-8,15H,9-14,19H2,1-3H3
InChIKeyFDRXUKLGBIKLGB-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
1-[2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86892316
(2S)-2-(4-benzyl-3,3-dimethylpiperazin-1-yl)butanoic acid
CID 124623182
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone
CID 120800062
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
CID 82851488

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one (CID 120565406) is 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one is CC(N)CCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1.
What is the InChIKey of 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one?
The InChIKey is FDRXUKLGBIKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(19)9-10-17(22)20-11-12-21(18(2,3)14-20)13-16-7-5-4-6-8-16/h4-8,15H,9-14,19H2,1-3H3.
What are the key properties of 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one?
4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one has a molecular weight of 303.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 120565406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).