(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C20H30N4O2 — CID 131908824

IUPAC(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCN1CCC(C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-22-9-5-17(14-22)19(25)24-12-13-26-20(16-24)6-10-23(11-7-20)15-18-4-2-3-8-21-18/h2-4,8,17H,5-7,9-16H2,1H3
InChIKeyPOOHCGXCGZRSEW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.23
Rot. Bonds3

About (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131908824) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131908824
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCN1CCC(C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-22-9-5-17(14-22)19(25)24-12-13-26-20(16-24)6-10-23(11-7-20)15-18-4-2-3-8-21-18/h2-4,8,17H,5-7,9-16H2,1H3
InChIKeyPOOHCGXCGZRSEW-UHFFFAOYSA-N
XLogP1.23
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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

formic acid;(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 154913194
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797
4,9-bis(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171693125
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
9-(cyclopentylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 155879147
5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 72919674
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
9-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849125
pyrazin-2-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450788

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 131908824) is (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is CN1CCC(C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is POOHCGXCGZRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22-9-5-17(14-22)19(25)24-12-13-26-20(16-24)6-10-23(11-7-20)15-18-4-2-3-8-21-18/h2-4,8,17H,5-7,9-16H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131908824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).