2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one

C23H31N3O2 — CID 56679329

IUPAC2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one
SMILESCC(C)Oc1ccc(C(c2cccnc2)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-17(2)23(27)26-14-12-25(13-15-26)22(20-6-5-11-24-16-20)19-7-9-21(10-8-19)28-18(3)4/h5-11,16-18,22H,12-15H2,1-4H3
InChIKeyNOUGRYXCTYMVAY-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.76
Rot. Bonds6

About 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one (PubChem CID 56679329) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one
PubChem CID56679329
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one
SMILESCC(C)Oc1ccc(C(c2cccnc2)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-17(2)23(27)26-14-12-25(13-15-26)22(20-6-5-11-24-16-20)19-7-9-21(10-8-19)28-18(3)4/h5-11,16-18,22H,12-15H2,1-4H3
InChIKeyNOUGRYXCTYMVAY-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one (CID 56679329) is 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one is CC(C)Oc1ccc(C(c2cccnc2)N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one?
The InChIKey is NOUGRYXCTYMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17(2)23(27)26-14-12-25(13-15-26)22(20-6-5-11-24-16-20)19-7-9-21(10-8-19)28-18(3)4/h5-11,16-18,22H,12-15H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one has a molecular weight of 381.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56679329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).