(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one

C15H29N3O2 — CID 103831201

IUPAC(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-5-6-13(16)15(20)18-9-7-17(8-10-18)14(19)11-12(2)3/h12-13H,4-11,16H2,1-3H3/t13-/m0/s1
InChIKeyOIHDHUSFRWYVBP-ZDUSSCGKSA-N
MW283.42 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one

(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one (PubChem CID 103831201) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
PubChem CID103831201
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-5-6-13(16)15(20)18-9-7-17(8-10-18)14(19)11-12(2)3/h12-13H,4-11,16H2,1-3H3/t13-/m0/s1
InChIKeyOIHDHUSFRWYVBP-ZDUSSCGKSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
1-[4-[(2S)-2-aminobutanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 79024097
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]butan-1-one
CID 61163008
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one (CID 103831201) is (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one is CCCC[C@H](N)C(=O)N1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one?
The InChIKey is OIHDHUSFRWYVBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-5-6-13(16)15(20)18-9-7-17(8-10-18)14(19)11-12(2)3/h12-13H,4-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one?
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one has a molecular weight of 283.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 103831201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).