1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one

C15H22N2O2 — CID 176811840

IUPAC1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccnc1C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H22N2O2/c1-11(2)15(18)17-9-6-12(7-10-17)14-13(19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyBMCPWFRSHAQSSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 176811840) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID176811840
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccnc1C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H22N2O2/c1-11(2)15(18)17-9-6-12(7-10-17)14-13(19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyBMCPWFRSHAQSSJ-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 118108096
ethyl 4-[[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 155518790
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
2-(azetidin-3-yl)-3-methoxypyridine
CID 130160263
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796836
2-methyl-1-[4-[3-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822153
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110116964
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
CID 174853959
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxy-3-methylazetidine-1-carboxamide
CID 59505027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one (CID 176811840) is 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one is COc1cccnc1C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BMCPWFRSHAQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)15(18)17-9-6-12(7-10-17)14-13(19-3)5-4-8-16-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176811840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).