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

C20H24N2O2 — CID 136519929

IUPAC(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)ccc1C
InChIInChI=1S/C20H24N2O2/c1-15-5-6-18(13-19(15)24-2)20(23)22-10-7-16(8-11-22)12-17-4-3-9-21-14-17/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3
InChIKeyPGQDGYQPYWOFKL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.49
Rot. Bonds4

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

(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 136519929) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID136519929
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)ccc1C
InChIInChI=1S/C20H24N2O2/c1-15-5-6-18(13-19(15)24-2)20(23)22-10-7-16(8-11-22)12-17-4-3-9-21-14-17/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3
InChIKeyPGQDGYQPYWOFKL-UHFFFAOYSA-N
XLogP3.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110150380
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 136519929) is (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PGQDGYQPYWOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-5-6-18(13-19(15)24-2)20(23)22-10-7-16(8-11-22)12-17-4-3-9-21-14-17/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136519929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).