(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

C14H21N3O — CID 54991398

IUPAC(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)17-9-8-16(2)10-13(17)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11-,13?/m1/s1
InChIKeyOMCIPPZZLVFPAE-JTDNENJMSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds2

About (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (PubChem CID 54991398) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
PubChem CID54991398
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)17-9-8-16(2)10-13(17)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11-,13?/m1/s1
InChIKeyOMCIPPZZLVFPAE-JTDNENJMSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 129376778
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 106110999
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
2-(4-chlorophenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 55394367
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (CID 54991398) is (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is C[C@@H](N)C(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is OMCIPPZZLVFPAE-JTDNENJMSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)14(18)17-9-8-16(2)10-13(17)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 54991398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).