N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C24H30N2O5 — CID 43066391

IUPACN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)C3CCCN(C(=O)C(C)C)C3)ccc2OC)cc1
InChIInChI=1S/C24H30N2O5/c1-16(2)24(28)26-13-5-6-17(15-26)23(27)25-18-7-12-21(30-4)22(14-18)31-20-10-8-19(29-3)9-11-20/h7-12,14,16-17H,5-6,13,15H2,1-4H3,(H,25,27)
InChIKeyPQWJBMSWMCLXSD-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.33
Rot. Bonds7

About N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 43066391) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID43066391
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)C3CCCN(C(=O)C(C)C)C3)ccc2OC)cc1
InChIInChI=1S/C24H30N2O5/c1-16(2)24(28)26-13-5-6-17(15-26)23(27)25-18-7-12-21(30-4)22(14-18)31-20-10-8-19(29-3)9-11-20/h7-12,14,16-17H,5-6,13,15H2,1-4H3,(H,25,27)
InChIKeyPQWJBMSWMCLXSD-UHFFFAOYSA-N
XLogP4.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 30706906
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55539384
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 43066391) is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is COc1ccc(Oc2cc(NC(=O)C3CCCN(C(=O)C(C)C)C3)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is PQWJBMSWMCLXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16(2)24(28)26-13-5-6-17(15-26)23(27)25-18-7-12-21(30-4)22(14-18)31-20-10-8-19(29-3)9-11-20/h7-12,14,16-17H,5-6,13,15H2,1-4H3,(H,25,27).
What are the key properties of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43066391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).