(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H29N3O3 — CID 10386024

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C23H29N3O3/c1-15-16(2)21-18(17(3)20(15)27)8-9-23(4,29-21)22(28)26-13-11-25(12-14-26)19-7-5-6-10-24-19/h5-7,10,27H,8-9,11-14H2,1-4H3
InChIKeyRMCDCMJGQRKZPQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.14
Rot. Bonds2

About (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 10386024) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID10386024
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccccn3)CC1)O2
InChIInChI=1S/C23H29N3O3/c1-15-16(2)21-18(17(3)20(15)27)8-9-23(4,29-21)22(28)26-13-11-25(12-14-26)19-7-5-6-10-24-19/h5-7,10,27H,8-9,11-14H2,1-4H3
InChIKeyRMCDCMJGQRKZPQ-UHFFFAOYSA-N
XLogP3.14
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanethione
CID 22074174
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 72950434
N'-[4-[4-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)piperazin-1-yl]phenyl]thiophene-2-carboximidamide
CID 18765768
[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97202719
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
2-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768244
[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone;hydrochloride
CID 139906536
2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768589
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 99973607
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978920
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 10386024) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCN(c3ccccn3)CC1)O2.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RMCDCMJGQRKZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-16(2)21-18(17(3)20(15)27)8-9-23(4,29-21)22(28)26-13-11-25(12-14-26)19-7-5-6-10-24-19/h5-7,10,27H,8-9,11-14H2,1-4H3.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 395.50 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 10386024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).