1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C20H30N4O2 — CID 97495778

IUPAC1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(Cc2cccnc2)C(=O)C12CCN(C[C@H]1CCOC1)CC2
InChIInChI=1S/C20H30N4O2/c1-22-10-11-24(15-17-3-2-7-21-13-17)19(25)20(22)5-8-23(9-6-20)14-18-4-12-26-16-18/h2-3,7,13,18H,4-6,8-12,14-16H2,1H3/t18-/m1/s1
InChIKeyUVHWLORKGXXQDC-GOSISDBHSA-N
MW358.49 g/mol
LogP1.23
Rot. Bonds4

About 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495778) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495778
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(Cc2cccnc2)C(=O)C12CCN(C[C@H]1CCOC1)CC2
InChIInChI=1S/C20H30N4O2/c1-22-10-11-24(15-17-3-2-7-21-13-17)19(25)20(22)5-8-23(9-6-20)14-18-4-12-26-16-18/h2-3,7,13,18H,4-6,8-12,14-16H2,1H3/t18-/m1/s1
InChIKeyUVHWLORKGXXQDC-GOSISDBHSA-N
XLogP1.23
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495779
9-(oxolan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838750
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144814
9-(1,4-dioxan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72914999
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
9-(oxan-4-ylmethyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155841188
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
7-[[(3R)-oxolan-3-yl]methyl]-3-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 95715174
7-(oxolan-3-ylmethyl)-3-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 56901733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495778) is 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(Cc2cccnc2)C(=O)C12CCN(C[C@H]1CCOC1)CC2.
What is the InChIKey of 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is UVHWLORKGXXQDC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22-10-11-24(15-17-3-2-7-21-13-17)19(25)20(22)5-8-23(9-6-20)14-18-4-12-26-16-18/h2-3,7,13,18H,4-6,8-12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 358.49 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).