9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C18H21N3OS — CID 118746133

IUPAC9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C18H21N3OS/c22-17-18(7-10-21(17)16-5-11-23-13-16)6-3-9-20(14-18)12-15-4-1-2-8-19-15/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14H2
InChIKeyYJWNMKOPHNDTMJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.16
Rot. Bonds3

About 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118746133) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118746133
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccsc2)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C18H21N3OS/c22-17-18(7-10-21(17)16-5-11-23-13-16)6-3-9-20(14-18)12-15-4-1-2-8-19-15/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14H2
InChIKeyYJWNMKOPHNDTMJ-UHFFFAOYSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Pyridin-2-yl-1-pyridin-3-yl-3-thiophen-3-ylpyridin-2-one
CID 9945439
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 42606221
N-[(5-methyl-2-thienyl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide
CID 24791013
9-(Pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 118746991
N-methyl-6-oxo-1-(2-pyridinylmethyl)-N-(3-thienylmethyl)-3-piperidinecarboxamide
CID 45180964
N-cyclopropyl-N-(pyridin-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 45796559
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 53514594
1-[4-(2,5-Dimethylthiophene-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56825433
rel-(1S,3R)-3-amino-N-[(5-methyl-2-thienyl)methyl]-N-(2-pyridinylmethyl)cyclopentanecarboxamide dihydrochloride
CID 56899848
4-[1-(3-Thienylacetyl)-4-piperidinyl]pyridine
CID 70735787
2-(6-Methyl-3-pyridinyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72138575
2-(6-Methyl-3-pyridinyl)-1-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72145421

Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118746133) is 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccsc2)CCC12CCCN(Cc1ccccn1)C2.
What is the InChIKey of 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YJWNMKOPHNDTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17-18(7-10-21(17)16-5-11-23-13-16)6-3-9-20(14-18)12-15-4-1-2-8-19-15/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14H2.
What are the key properties of 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 327.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-2-ylmethyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118746133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).