(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one

C13H19N3O2 — CID 124570770

IUPAC(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cccnc1)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H19N3O2/c1-10-8-15-6-7-16(10)13(17)11(2)18-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeySMBWSAVGTOWAJC-MNOVXSKESA-N
MW249.31 g/mol
LogP0.67
Rot. Bonds3

About (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one

(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one (PubChem CID 124570770) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
PubChem CID124570770
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cccnc1)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C13H19N3O2/c1-10-8-15-6-7-16(10)13(17)11(2)18-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3/t10-,11+/m1/s1
InChIKeySMBWSAVGTOWAJC-MNOVXSKESA-N
XLogP0.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 120733367
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
(2S)-2-(2-bromophenoxy)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 124571324
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472199
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
2-pyridin-3-yloxypropanoic acid
CID 22668209
2-(2-chloro-5-methylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732044
2-(2-chloro-4-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120728927
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
N-piperidin-4-yl-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119389266

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one (CID 124570770) is (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one is C[C@H](Oc1cccnc1)C(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The InChIKey is SMBWSAVGTOWAJC-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-15-6-7-16(10)13(17)11(2)18-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 124570770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).