(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C21H25N3O3 — CID 97399546

IUPAC(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOC[C@@]3(C2)CN(c2ccccc2C)C(=O)CO3)n1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-8-18(16)24-14-21(27-12-20(24)25)13-23(10-11-26-15-21)19-9-5-7-17(2)22-19/h3-9H,10-15H2,1-2H3/t21-/m1/s1
InChIKeyKUXLUGSOFGINSE-OAQYLSRUSA-N
MW367.45 g/mol
LogP2.34
Rot. Bonds2

About (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 97399546) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID97399546
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOC[C@@]3(C2)CN(c2ccccc2C)C(=O)CO3)n1
InChIInChI=1S/C21H25N3O3/c1-16-6-3-4-8-18(16)24-14-21(27-12-20(24)25)13-23(10-11-26-15-21)19-9-5-7-17(2)22-19/h3-9H,10-15H2,1-2H3/t21-/m1/s1
InChIKeyKUXLUGSOFGINSE-OAQYLSRUSA-N
XLogP2.34
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylphenyl)-8-pyrimidin-4-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740875
9-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 134073634
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
4-(2-methylphenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067498
(6S)-8-ethylsulfonyl-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374543
4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118739369
(6R)-4-(5-methylthiophen-2-yl)-8-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374725
2-methyl-2-(1-methylpyrazol-4-yl)-4-(6-methyl-2-pyridinyl)morpholine
CID 75509895
4-ethyl-8-[(6-methyl-2-pyridinyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 155836405
(6R)-4-pyridin-2-yl-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374631
(6S)-8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374598

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 97399546) is (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cc1cccc(N2CCOC[C@@]3(C2)CN(c2ccccc2C)C(=O)CO3)n1.
What is the InChIKey of (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is KUXLUGSOFGINSE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-6-3-4-8-18(16)24-14-21(27-12-20(24)25)13-23(10-11-26-15-21)19-9-5-7-17(2)22-19/h3-9H,10-15H2,1-2H3/t21-/m1/s1.
What are the key properties of (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
(6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 367.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-methylphenyl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 97399546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).