(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone

C19H22N2O2 — CID 45218080

IUPAC(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)C2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-6-2-4-16(12-18)19(22)17-5-3-11-21(14-17)13-15-7-9-20-10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3
InChIKeyIVWRPJLPSXTWHQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds5

About (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone

(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45218080) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
PubChem CID45218080
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)C2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-6-2-4-16(12-18)19(22)17-5-3-11-21(14-17)13-15-7-9-20-10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3
InChIKeyIVWRPJLPSXTWHQ-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42565343
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone (CID 45218080) is (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone is COc1cccc(C(=O)C2CCCN(Cc3ccncc3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is IVWRPJLPSXTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-6-2-4-16(12-18)19(22)17-5-3-11-21(14-17)13-15-7-9-20-10-8-15/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3.
What are the key properties of (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone?
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45218080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).