(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C17H25N3O2 — CID 97373124

IUPAC(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOC[C@@]3(CN(CC4CC4)CCO3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(10-18-5-1)20-7-8-21-14-17(13-20)12-19(6-9-22-17)11-15-3-4-15/h1-2,5,10,15H,3-4,6-9,11-14H2/t17-/m1/s1
InChIKeyACEOKEDVNBIGHT-QGZVFWFLSA-N
MW303.41 g/mol
LogP1.40
Rot. Bonds3

About (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373124) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97373124
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOC[C@@]3(CN(CC4CC4)CCO3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(10-18-5-1)20-7-8-21-14-17(13-20)12-19(6-9-22-17)11-15-3-4-15/h1-2,5,10,15H,3-4,6-9,11-14H2/t17-/m1/s1
InChIKeyACEOKEDVNBIGHT-QGZVFWFLSA-N
XLogP1.40
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

4-pyridin-3-yl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072944
(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373115
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
8-(oxan-4-ylmethyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854448
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
4-(oxan-4-yl)-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134074048
(6S)-4-[(3-methylimidazol-4-yl)methyl]-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492020
1-[(2,2-dimethyloxan-4-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77080780
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
4-(cyclopropylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131652382
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373124) is (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1cncc(N2CCOC[C@@]3(CN(CC4CC4)CCO3)C2)c1.
What is the InChIKey of (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is ACEOKEDVNBIGHT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-16(10-18-5-1)20-7-8-21-14-17(13-20)12-19(6-9-22-17)11-15-3-4-15/h1-2,5,10,15H,3-4,6-9,11-14H2/t17-/m1/s1.
What are the key properties of (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 303.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).