2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C21H25N3O2S — CID 131680510

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)n1
InChIInChI=1S/C21H25N3O2S/c1-16-4-2-5-18(22-16)14-24-10-3-7-21(20(24)26)8-11-23(12-9-21)19(25)17-6-13-27-15-17/h2,4-6,13,15H,3,7-12,14H2,1H3
InChIKeyVSSGYWPTOJZGRB-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.50
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131680510) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131680510
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)n1
InChIInChI=1S/C21H25N3O2S/c1-16-4-2-5-18(22-16)14-24-10-3-7-21(20(24)26)8-11-23(12-9-21)19(25)17-6-13-27-15-17/h2,4-6,13,15H,3,7-12,14H2,1H3
InChIKeyVSSGYWPTOJZGRB-UHFFFAOYSA-N
XLogP3.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98897514
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203
(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372094
9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131651209
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372107
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131679704
2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131685243
(5S)-9-(5-methylfuran-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372108
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490135
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42193574

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131680510) is 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccsc4)CC3)C2=O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is VSSGYWPTOJZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-16-4-2-5-18(22-16)14-24-10-3-7-21(20(24)26)8-11-23(12-9-21)19(25)17-6-13-27-15-17/h2,4-6,13,15H,3,7-12,14H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 383.52 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).