(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane

C19H29N3O — CID 97450038

IUPAC(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCC[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)nc1
InChIInChI=1S/C19H29N3O/c1-2-8-20-18(4-1)13-21-9-3-6-19(15-21)7-10-22(16-19)12-17-5-11-23-14-17/h1-2,4,8,17H,3,5-7,9-16H2/t17-,19-/m0/s1
InChIKeyFUUNYYHRVNTBNQ-HKUYNNGSSA-N
MW315.46 g/mol
LogP2.41
Rot. Bonds4

About (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane

(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 97450038) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
PubChem CID97450038
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCC[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)nc1
InChIInChI=1S/C19H29N3O/c1-2-8-20-18(4-1)13-21-9-3-6-19(15-21)7-10-22(16-19)12-17-5-11-23-14-17/h1-2,4,8,17H,3,5-7,9-16H2/t17-,19-/m0/s1
InChIKeyFUUNYYHRVNTBNQ-HKUYNNGSSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane with MolForge

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Related Compounds

2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane (CID 97450038) is (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane is c1ccc(CN2CCC[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)nc1.
What is the InChIKey of (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is FUUNYYHRVNTBNQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-8-20-18(4-1)13-21-9-3-6-19(15-21)7-10-22(16-19)12-17-5-11-23-14-17/h1-2,4,8,17H,3,5-7,9-16H2/t17-,19-/m0/s1.
What are the key properties of (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 315.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97450038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).