(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone

C18H21N3O2S — CID 131642549

IUPAC(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(15-4-10-24-11-15)21-8-9-23-14-18(13-21)5-7-20(12-18)16-3-1-2-6-19-16/h1-4,6,10-11H,5,7-9,12-14H2
InChIKeyTXTBTDCPZAGBBH-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.51
Rot. Bonds2

About (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone

(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone (PubChem CID 131642549) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
PubChem CID131642549
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCOCC2(CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(15-4-10-24-11-15)21-8-9-23-14-18(13-21)5-7-20(12-18)16-3-1-2-6-19-16/h1-4,6,10-11H,5,7-9,12-14H2
InChIKeyTXTBTDCPZAGBBH-UHFFFAOYSA-N
XLogP2.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-yl-(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 131640073
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-thiophen-3-ylmethanone
CID 131649578
[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
CID 97385023
(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155855024
[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 97494683
pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97385043
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
[(4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
CID 125461881
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone?
The IUPAC name of (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone (CID 131642549) is (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCOCC2(CCN(c3ccccn3)C2)C1.
What is the InChIKey of (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone?
The InChIKey is TXTBTDCPZAGBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(15-4-10-24-11-15)21-8-9-23-14-18(13-21)5-7-20(12-18)16-3-1-2-6-19-16/h1-4,6,10-11H,5,7-9,12-14H2.
What are the key properties of (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone?
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone has a molecular weight of 343.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 131642549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).