(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone

C22H27N3O3 — CID 134161282

IUPAC(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(COc2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C22H27N3O3/c1-27-20-9-5-3-7-18(20)22(26)25-12-10-16(11-13-25)15-28-21-14-17-6-2-4-8-19(17)23-24-21/h3,5,7,9,14,16H,2,4,6,8,10-13,15H2,1H3
InChIKeyKFRSDRFIICLVFN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds5

About (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 134161282) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID134161282
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(COc2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C22H27N3O3/c1-27-20-9-5-3-7-18(20)22(26)25-12-10-16(11-13-25)15-28-21-14-17-6-2-4-8-19(17)23-24-21/h3,5,7,9,14,16H,2,4,6,8,10-13,15H2,1H3
InChIKeyKFRSDRFIICLVFN-UHFFFAOYSA-N
XLogP3.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
CID 134161035
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 122281039
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800834

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone (CID 134161282) is (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(COc2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is KFRSDRFIICLVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-20-9-5-3-7-18(20)22(26)25-12-10-16(11-13-25)15-28-21-14-17-6-2-4-8-19(17)23-24-21/h3,5,7,9,14,16H,2,4,6,8,10-13,15H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 134161282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).