1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

C22H29N3O2 — CID 110088942

IUPAC1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)C(C)C)C3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)22(26)25-10-6-7-17(14-25)21-13-19(11-16(3)23-21)24-18-8-5-9-20(12-18)27-4/h5,8-9,11-13,15,17H,6-7,10,14H2,1-4H3,(H,23,24)
InChIKeyQGBDNUOOOPABMT-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.50
Rot. Bonds5

About 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110088942) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID110088942
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)C(C)C)C3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)22(26)25-10-6-7-17(14-25)21-13-19(11-16(3)23-21)24-18-8-5-9-20(12-18)27-4/h5,8-9,11-13,15,17H,6-7,10,14H2,1-4H3,(H,23,24)
InChIKeyQGBDNUOOOPABMT-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822131
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 3348960
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one (CID 110088942) is 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is COc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)C(C)C)C3)c2)c1.
What is the InChIKey of 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is QGBDNUOOOPABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)22(26)25-10-6-7-17(14-25)21-13-19(11-16(3)23-21)24-18-8-5-9-20(12-18)27-4/h5,8-9,11-13,15,17H,6-7,10,14H2,1-4H3,(H,23,24).
What are the key properties of 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110088942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).