2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one

C14H27N3O2 — CID 54870104

IUPAC2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-16(8-10-17)13(18)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyDLSSZQQEDFUSSO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one

2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one (PubChem CID 54870104) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
PubChem CID54870104
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-16(8-10-17)13(18)11(2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyDLSSZQQEDFUSSO-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
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-(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
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one (CID 54870104) is 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one?
The InChIKey is DLSSZQQEDFUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-16(8-10-17)13(18)11(2)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one?
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 54870104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).