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

C21H29N3O2 — CID 98897514

IUPAC9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)CC4CC4)CC3)C2=O)n1
InChIInChI=1S/C21H29N3O2/c1-16-4-2-5-18(22-16)15-24-11-3-8-21(20(24)26)9-12-23(13-10-21)19(25)14-17-6-7-17/h2,4-5,17H,3,6-15H2,1H3
InChIKeyGLSWYBDUTAUABP-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.92
Rot. Bonds4

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

9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98897514) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98897514
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)CC4CC4)CC3)C2=O)n1
InChIInChI=1S/C21H29N3O2/c1-16-4-2-5-18(22-16)15-24-11-3-8-21(20(24)26)9-12-23(13-10-21)19(25)14-17-6-7-17/h2,4-5,17H,3,6-15H2,1H3
InChIKeyGLSWYBDUTAUABP-UHFFFAOYSA-N
XLogP2.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372110
2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131680510
9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131651209
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
9-(2-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131679704
9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98896743
(5S)-9-(5-methylfuran-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372108
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372107
(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372094
(5R)-7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26331163
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490526
(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25292551

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 98897514) is 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1cccc(CN2CCCC3(CCN(C(=O)CC4CC4)CC3)C2=O)n1.
What is the InChIKey of 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is GLSWYBDUTAUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-4-2-5-18(22-16)15-24-11-3-8-21(20(24)26)9-12-23(13-10-21)19(25)14-17-6-7-17/h2,4-5,17H,3,6-15H2,1H3.
What are the key properties of 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 355.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98897514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).