(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one

C14H29N3O — CID 93375585

IUPAC(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-13(15)14(18)17-10-8-16(9-11-17)7-6-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1
InChIKeyLWLJAUVAJWIQGK-CYBMUJFWSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one

(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one (PubChem CID 93375585) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
PubChem CID93375585
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-13(15)14(18)17-10-8-16(9-11-17)7-6-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1
InChIKeyLWLJAUVAJWIQGK-CYBMUJFWSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one (CID 93375585) is (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one is CCC[C@@H](N)C(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
The InChIKey is LWLJAUVAJWIQGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-13(15)14(18)17-10-8-16(9-11-17)7-6-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one?
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 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-(3-methylbutyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 93375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).