(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone

C16H25N3O — CID 104897697

IUPAC(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
SMILESCC(C)(C)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-11-9-18(10-12-19)15(20)14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3/t14-/m0/s1
InChIKeyQNMFZHMFYJHNLO-AWEZNQCLSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds2

About (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone

(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone (PubChem CID 104897697) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
PubChem CID104897697
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
SMILESCC(C)(C)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)19-11-9-18(10-12-19)15(20)14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3/t14-/m0/s1
InChIKeyQNMFZHMFYJHNLO-AWEZNQCLSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
CID 119887445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone (CID 104897697) is (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone is CC(C)(C)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone?
The InChIKey is QNMFZHMFYJHNLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)19-11-9-18(10-12-19)15(20)14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone?
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone has a molecular weight of 275.40 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone is sourced from PubChem (CID 104897697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).