2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone

C7H15N3O — CID 130636624

IUPAC2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)CN)CCN1
InChIInChI=1S/C7H15N3O/c1-6-5-10(3-2-9-6)7(11)4-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyFBZILXDPWDXPQM-LURJTMIESA-N
MW157.22 g/mol
LogP-1.23
Rot. Bonds1

About 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone

2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone (PubChem CID 130636624) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
PubChem CID130636624
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
SMILESC[C@H]1CN(C(=O)CN)CCN1
InChIInChI=1S/C7H15N3O/c1-6-5-10(3-2-9-6)7(11)4-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyFBZILXDPWDXPQM-LURJTMIESA-N
XLogP-1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-[(3S)-3-methylpiperazin-1-yl]but-3-en-1-one
CID 104976240
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
hydroxymethyl 3-methylpiperazine-1-carboxylate
CID 118679153
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone (CID 130636624) is 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone is C[C@H]1CN(C(=O)CN)CCN1.
What is the InChIKey of 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is FBZILXDPWDXPQM-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c1-6-5-10(3-2-9-6)7(11)4-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone?
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 157.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 130636624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).