(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone

C14H19N3O2 — CID 22691647

IUPAC(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
SMILESCC(=O)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-11(18)16-7-9-17(10-8-16)14(19)13(15)12-5-3-2-4-6-12/h2-6,13H,7-10,15H2,1H3/t13-/m0/s1
InChIKeyBADCWNCMJWNCBB-ZDUSSCGKSA-N
MW261.32 g/mol
LogP0.38
Rot. Bonds2

About (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone

(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone (PubChem CID 22691647) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
PubChem CID22691647
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
SMILESCC(=O)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-11(18)16-7-9-17(10-8-16)14(19)13(15)12-5-3-2-4-6-12/h2-6,13H,7-10,15H2,1H3/t13-/m0/s1
InChIKeyBADCWNCMJWNCBB-ZDUSSCGKSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
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
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
CID 119306958
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone?
The IUPAC name of (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone (CID 22691647) is (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone.
What is the SMILES notation for (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone?
The canonical SMILES for (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone is CC(=O)N1CCN(C(=O)[C@@H](N)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone?
The InChIKey is BADCWNCMJWNCBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)16-7-9-17(10-8-16)14(19)13(15)12-5-3-2-4-6-12/h2-6,13H,7-10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone?
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone has a molecular weight of 261.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone is sourced from PubChem (CID 22691647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).