N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide

C22H27N3O4 — CID 55872419

IUPACN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)C1
InChIInChI=1S/C22H27N3O4/c1-4-21(26)25-11-5-6-16(14-25)22(27)24-17-8-10-20(23-13-17)29-18-9-7-15(2)12-19(18)28-3/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,27)
InChIKeyAABWBFSGXFHAOO-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.78
Rot. Bonds6

About N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55872419) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55872419
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)C1
InChIInChI=1S/C22H27N3O4/c1-4-21(26)25-11-5-6-16(14-25)22(27)24-17-8-10-20(23-13-17)29-18-9-7-15(2)12-19(18)28-3/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,27)
InChIKeyAABWBFSGXFHAOO-UHFFFAOYSA-N
XLogP3.78
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
CID 163341520
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide (CID 55872419) is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)C1.
What is the InChIKey of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is AABWBFSGXFHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-21(26)25-11-5-6-16(14-25)22(27)24-17-8-10-20(23-13-17)29-18-9-7-15(2)12-19(18)28-3/h7-10,12-13,16H,4-6,11,14H2,1-3H3,(H,24,27).
What are the key properties of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide?
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55872419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).