(2S)-2-amino-1-piperazin-1-ylpentan-1-one

C9H19N3O — CID 93255588

IUPAC(2S)-2-amino-1-piperazin-1-ylpentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-2-3-8(10)9(13)12-6-4-11-5-7-12/h8,11H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyNYPYRBAYOULIFE-QMMMGPOBSA-N
MW185.27 g/mol
LogP-0.45
Rot. Bonds3

About (2S)-2-amino-1-piperazin-1-ylpentan-1-one

(2S)-2-amino-1-piperazin-1-ylpentan-1-one (PubChem CID 93255588) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-piperazin-1-ylpentan-1-one
PubChem CID93255588
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-amino-1-piperazin-1-ylpentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-2-3-8(10)9(13)12-6-4-11-5-7-12/h8,11H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyNYPYRBAYOULIFE-QMMMGPOBSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
2-amino-1-piperazin-1-ylhex-5-yn-1-one
CID 82505467
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-piperazin-1-ylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-piperazin-1-ylpentan-1-one (CID 93255588) is (2S)-2-amino-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-piperazin-1-ylpentan-1-one is CCC[C@H](N)C(=O)N1CCNCC1.
What is the InChIKey of (2S)-2-amino-1-piperazin-1-ylpentan-1-one?
The InChIKey is NYPYRBAYOULIFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-3-8(10)9(13)12-6-4-11-5-7-12/h8,11H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-piperazin-1-ylpentan-1-one?
(2S)-2-amino-1-piperazin-1-ylpentan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 93255588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).