2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one

C13H25N3O — CID 54874275

IUPAC2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-10(2)12(14)13(17)16-8-6-15(7-9-16)11-4-5-11/h10-12H,3-9,14H2,1-2H3
InChIKeyZJXJNZIIODZNPF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one

2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one (PubChem CID 54874275) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
PubChem CID54874275
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-10(2)12(14)13(17)16-8-6-15(7-9-16)11-4-5-11/h10-12H,3-9,14H2,1-2H3
InChIKeyZJXJNZIIODZNPF-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430985
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-[4-[(2S)-2-amino-3-methylpentanoyl]piperazin-1-yl]acetic acid
CID 61173409
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one (CID 54874275) is 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one?
The InChIKey is ZJXJNZIIODZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-10(2)12(14)13(17)16-8-6-15(7-9-16)11-4-5-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one?
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 54874275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).