(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H23N3O2 — CID 1254913

IUPAC(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)24-16(2)19(23)22-13-11-21(12-14-22)18-9-5-6-10-20-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKHNPMHSKHAJMKS-INIZCTEOSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds4

About (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 1254913) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID1254913
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)24-16(2)19(23)22-13-11-21(12-14-22)18-9-5-6-10-20-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKHNPMHSKHAJMKS-INIZCTEOSA-N
XLogP2.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 7375104
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
2-ethoxy-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 75506654
(2S)-2-amino-3-methyl-1-[4-[2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119331024
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 75494329
2-(2-chlorophenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058496
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171389391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 1254913) is (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is KHNPMHSKHAJMKS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)24-16(2)19(23)22-13-11-21(12-14-22)18-9-5-6-10-20-18/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 1254913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).