[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone

C22H29N3O2 — CID 90616401

IUPAC[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-5-10-23-21-4-3-17(15-20(16)21)22(26)25-11-6-18(7-12-25)24-13-8-19(27-2)9-14-24/h3-5,10,15,18-19H,6-9,11-14H2,1-2H3
InChIKeySDOHKBOHUGMQFN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.26
Rot. Bonds3

About [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone

[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone (PubChem CID 90616401) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
PubChem CID90616401
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-5-10-23-21-4-3-17(15-20(16)21)22(26)25-11-6-18(7-12-25)24-13-8-19(27-2)9-14-24/h3-5,10,15,18-19H,6-9,11-14H2,1-2H3
InChIKeySDOHKBOHUGMQFN-UHFFFAOYSA-N
XLogP3.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616553
2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
CID 122160856
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(4-methylquinolin-6-yl)methanone
CID 121153452
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone?
The IUPAC name of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone (CID 90616401) is [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone.
What is the SMILES notation for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone?
The canonical SMILES for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone is COC1CCN(C2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)CC1.
What is the InChIKey of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone?
The InChIKey is SDOHKBOHUGMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-5-10-23-21-4-3-17(15-20(16)21)22(26)25-11-6-18(7-12-25)24-13-8-19(27-2)9-14-24/h3-5,10,15,18-19H,6-9,11-14H2,1-2H3.
What are the key properties of [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone?
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone has a molecular weight of 367.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone is sourced from PubChem (CID 90616401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).