2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one

C14H21N3O — CID 110478917

IUPAC2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)17-8-7-16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3
InChIKeyJTWNFHBVNYZIIL-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.38
Rot. Bonds3

About 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one

2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one (PubChem CID 110478917) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
PubChem CID110478917
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)17-8-7-16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3
InChIKeyJTWNFHBVNYZIIL-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
2-(2-aminopropanoyl)-7-benzyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 78455039
(3R)-3-[(4-sulfamoylphenyl)methyl]piperazine-1-carboxylic acid
CID 68664807
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one (CID 110478917) is 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one is CC(N)C(=O)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is JTWNFHBVNYZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)14(18)17-8-7-16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10,15H2,1H3.
What are the key properties of 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one?
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).