(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one

C15H29N3O2 — CID 61164059

IUPAC(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)14(16)15(19)18-8-6-17(7-9-18)11-13-5-4-10-20-13/h12-14H,3-11,16H2,1-2H3/t12-,13?,14-/m0/s1
InChIKeyWVSCYFCHWQJRIC-HPNRGHHYSA-N
MW283.42 g/mol
LogP0.68
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one

(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 61164059) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID61164059
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-12(2)14(16)15(19)18-8-6-17(7-9-18)11-13-5-4-10-20-13/h12-14H,3-11,16H2,1-2H3/t12-,13?,14-/m0/s1
InChIKeyWVSCYFCHWQJRIC-HPNRGHHYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one with MolForge

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Related Compounds

2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
(2R)-2-amino-3,3-dimethyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 103929357
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S)-2-amino-4-methylsulfanyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 61163866
4-amino-5-oxo-5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanoic acid
CID 64890084
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one (CID 61164059) is (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is WVSCYFCHWQJRIC-HPNRGHHYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-12(2)14(16)15(19)18-8-6-17(7-9-18)11-13-5-4-10-20-13/h12-14H,3-11,16H2,1-2H3/t12-,13?,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 61164059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).