3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

C19H29N3O2 — CID 134077551

IUPAC3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOCC3(CCN(CC4CCOC4)CC3)C2)c1
InChIInChI=1S/C19H29N3O2/c1-2-18(12-20-6-1)22-9-11-24-16-19(15-22)4-7-21(8-5-19)13-17-3-10-23-14-17/h1-2,6,12,17H,3-5,7-11,13-16H2
InChIKeyHJJUNEVTFXTWNW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.04
Rot. Bonds3

About 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 134077551) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID134077551
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOCC3(CCN(CC4CCOC4)CC3)C2)c1
InChIInChI=1S/C19H29N3O2/c1-2-18(12-20-6-1)22-9-11-24-16-19(15-22)4-7-21(8-5-19)13-17-3-10-23-14-17/h1-2,6,12,17H,3-5,7-11,13-16H2
InChIKeyHJJUNEVTFXTWNW-UHFFFAOYSA-N
XLogP2.04
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-(cyclopropylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373124
3-[(3-methylimidazol-4-yl)methyl]-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399470
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
(6R)-11-pyridin-3-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372839
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
(5R)-7-[[(3R)-oxolan-3-yl]methyl]-N-pyridin-3-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 98778326
1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495778
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
1-[(2,2-dimethyloxan-4-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77080780
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 134077551) is 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is c1cncc(N2CCOCC3(CCN(CC4CCOC4)CC3)C2)c1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is HJJUNEVTFXTWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-18(12-20-6-1)22-9-11-24-16-19(15-22)4-7-21(8-5-19)13-17-3-10-23-14-17/h1-2,6,12,17H,3-5,7-11,13-16H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 331.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134077551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).