[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone

C22H29N3O4 — CID 175421866

IUPAC[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnccc3OC)CC2)ncc1OCC(C)C
InChIInChI=1S/C22H29N3O4/c1-15(2)14-29-21-13-24-18(11-20(21)28-4)22(26)25-9-6-16(7-10-25)17-12-23-8-5-19(17)27-3/h5,8,11-13,15-16H,6-7,9-10,14H2,1-4H3
InChIKeyVPTYFBLGXRDLCV-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.55
Rot. Bonds7

About [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone

[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone (PubChem CID 175421866) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
PubChem CID175421866
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3cnccc3OC)CC2)ncc1OCC(C)C
InChIInChI=1S/C22H29N3O4/c1-15(2)14-29-21-13-24-18(11-20(21)28-4)22(26)25-9-6-16(7-10-25)17-12-23-8-5-19(17)27-3/h5,8,11-13,15-16H,6-7,9-10,14H2,1-4H3
InChIKeyVPTYFBLGXRDLCV-UHFFFAOYSA-N
XLogP3.55
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[5-[(2-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265069
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
CID 175421877
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
ethyl 4-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318147
cyclopropyl-[4-[3-methoxy-4-(2-methylpropoxy)benzoyl]-1,4-diazepan-1-yl]methanone
CID 136534070
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone (CID 175421866) is [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(c3cnccc3OC)CC2)ncc1OCC(C)C.
What is the InChIKey of [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is VPTYFBLGXRDLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15(2)14-29-21-13-24-18(11-20(21)28-4)22(26)25-9-6-16(7-10-25)17-12-23-8-5-19(17)27-3/h5,8,11-13,15-16H,6-7,9-10,14H2,1-4H3.
What are the key properties of [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone?
[4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 399.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5-(2-methylpropoxy)-2-pyridinyl]-[4-(4-methoxy-3-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175421866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).