2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one

C30H40N2O3 — CID 20547304

IUPAC2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)N3CCCCC3)cc2)cc1)N1CCCCC1
InChIInChI=1S/C30H40N2O3/c1-29(2,31-19-7-5-8-20-31)27(33)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)30(3,4)32-21-9-6-10-22-32/h11-18H,5-10,19-22H2,1-4H3
InChIKeyAEUJHELYOZQGKV-UHFFFAOYSA-N
MW476.66 g/mol
LogP6.37
Rot. Bonds8

About 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one

2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one (PubChem CID 20547304) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
PubChem CID20547304
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC Name2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)N3CCCCC3)cc2)cc1)N1CCCCC1
InChIInChI=1S/C30H40N2O3/c1-29(2,31-19-7-5-8-20-31)27(33)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)30(3,4)32-21-9-6-10-22-32/h11-18H,5-10,19-22H2,1-4H3
InChIKeyAEUJHELYOZQGKV-UHFFFAOYSA-N
XLogP6.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 97356006
2-methyl-2-piperidin-1-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one
CID 89279808
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 129155328
[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 135157313
dimethyl-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenyl]sulfanium;methyl hydrogen sulfate
CID 173018125
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
CID 81198324
1-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 19879432
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one (CID 20547304) is 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one is CC(C)(C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)N3CCCCC3)cc2)cc1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one?
The InChIKey is AEUJHELYOZQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-29(2,31-19-7-5-8-20-31)27(33)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)28(34)30(3,4)32-21-9-6-10-22-32/h11-18H,5-10,19-22H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one?
2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one has a molecular weight of 476.66 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 20547304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).