2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one

C19H29N3O — CID 131645591

IUPAC2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1cccc(CN2CCCC3(CCCN3C(=O)C(C)C)C2)n1
InChIInChI=1S/C19H29N3O/c1-15(2)18(23)22-12-6-10-19(22)9-5-11-21(14-19)13-17-8-4-7-16(3)20-17/h4,7-8,15H,5-6,9-14H2,1-3H3
InChIKeyLTUGWTKVYNWILR-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one

2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one (PubChem CID 131645591) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
PubChem CID131645591
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1cccc(CN2CCCC3(CCCN3C(=O)C(C)C)C2)n1
InChIInChI=1S/C19H29N3O/c1-15(2)18(23)22-12-6-10-19(22)9-5-11-21(14-19)13-17-8-4-7-16(3)20-17/h4,7-8,15H,5-6,9-14H2,1-3H3
InChIKeyLTUGWTKVYNWILR-UHFFFAOYSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155833051
2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 97492474
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
CID 131641729
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
(2,5-dimethylfuran-3-yl)-[(5S)-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97483264
1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one (CID 131645591) is 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one is Cc1cccc(CN2CCCC3(CCCN3C(=O)C(C)C)C2)n1.
What is the InChIKey of 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
The InChIKey is LTUGWTKVYNWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(2)18(23)22-12-6-10-19(22)9-5-11-21(14-19)13-17-8-4-7-16(3)20-17/h4,7-8,15H,5-6,9-14H2,1-3H3.
What are the key properties of 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one?
2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one is sourced from PubChem (CID 131645591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).