(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one

C14H29N3O2 — CID 119880328

IUPAC(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
SMILESCOCCN1CCN(C(=O)[C@@H](N)CC(C)C)CC1C
InChIInChI=1S/C14H29N3O2/c1-11(2)9-13(15)14(18)17-6-5-16(7-8-19-4)12(3)10-17/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyPEUULEVBWSOGAD-ABLWVSNPSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds6

About (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one (PubChem CID 119880328) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
PubChem CID119880328
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
SMILESCOCCN1CCN(C(=O)[C@@H](N)CC(C)C)CC1C
InChIInChI=1S/C14H29N3O2/c1-11(2)9-13(15)14(18)17-6-5-16(7-8-19-4)12(3)10-17/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyPEUULEVBWSOGAD-ABLWVSNPSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98761813
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
(2S)-2-amino-1-[4-(3-methoxypropoxy)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119796709
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 124721809
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one (CID 119880328) is (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one is COCCN1CCN(C(=O)[C@@H](N)CC(C)C)CC1C.
What is the InChIKey of (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is PEUULEVBWSOGAD-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(2)9-13(15)14(18)17-6-5-16(7-8-19-4)12(3)10-17/h11-13H,5-10,15H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 271.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 119880328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).