1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone

C23H29N3O2 — CID 95221644

IUPAC1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
SMILESCc1cccc(CN2CC[C@@]3(CCCN(C(=O)COc4ccccc4)C3)C2)n1
InChIInChI=1S/C23H29N3O2/c1-19-7-5-8-20(24-19)15-25-14-12-23(17-25)11-6-13-26(18-23)22(27)16-28-21-9-3-2-4-10-21/h2-5,7-10H,6,11-18H2,1H3/t23-/m0/s1
InChIKeyOZRZRPSAFWPEQR-QHCPKHFHSA-N
MW379.50 g/mol
LogP3.28
Rot. Bonds5

About 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone

1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone (PubChem CID 95221644) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
PubChem CID95221644
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
SMILESCc1cccc(CN2CC[C@@]3(CCCN(C(=O)COc4ccccc4)C3)C2)n1
InChIInChI=1S/C23H29N3O2/c1-19-7-5-8-20(24-19)15-25-14-12-23(17-25)11-6-13-26(18-23)22(27)16-28-21-9-3-2-4-10-21/h2-5,7-10H,6,11-18H2,1H3/t23-/m0/s1
InChIKeyOZRZRPSAFWPEQR-QHCPKHFHSA-N
XLogP3.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 56753797
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97483264
(2-ethylpyrazol-3-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878250
(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
2-[(6-methyl-2-pyridinyl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746600

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone (CID 95221644) is 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone is Cc1cccc(CN2CC[C@@]3(CCCN(C(=O)COc4ccccc4)C3)C2)n1.
What is the InChIKey of 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The InChIKey is OZRZRPSAFWPEQR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19-7-5-8-20(24-19)15-25-14-12-23(17-25)11-6-13-26(18-23)22(27)16-28-21-9-3-2-4-10-21/h2-5,7-10H,6,11-18H2,1H3/t23-/m0/s1.
What are the key properties of 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone has a molecular weight of 379.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone is sourced from PubChem (CID 95221644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).