3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C21H24N2O3 — CID 70773170

IUPAC3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(18-12-17-5-1-2-6-20(17)26-15-18)23-10-7-19(8-11-23)25-14-16-4-3-9-22-13-16/h1-6,9,13,18-19H,7-8,10-12,14-15H2
InChIKeyVCZQDVFPNJBYKY-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.84
Rot. Bonds4

About 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70773170) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70773170
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(18-12-17-5-1-2-6-20(17)26-15-18)23-10-7-19(8-11-23)25-14-16-4-3-9-22-13-16/h1-6,9,13,18-19H,7-8,10-12,14-15H2
InChIKeyVCZQDVFPNJBYKY-UHFFFAOYSA-N
XLogP2.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3,4-dihydro-2H-chromen-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 129367014
(6S)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26135968
[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 119664571
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 91777381
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70773170) is 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(C1COc2ccccc2C1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is VCZQDVFPNJBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(18-12-17-5-1-2-6-20(17)26-15-18)23-10-7-19(8-11-23)25-14-16-4-3-9-22-13-16/h1-6,9,13,18-19H,7-8,10-12,14-15H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70773170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).