1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C18H27N3O — CID 162627482

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(CN2CCCC23CCCN(C(C)C)C3=O)n1
InChIInChI=1S/C18H27N3O/c1-14(2)21-12-6-10-18(17(21)22)9-5-11-20(18)13-16-8-4-7-15(3)19-16/h4,7-8,14H,5-6,9-13H2,1-3H3
InChIKeyYHWIQEFRKJHKQN-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.76
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162627482) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162627482
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(CN2CCCC23CCCN(C(C)C)C3=O)n1
InChIInChI=1S/C18H27N3O/c1-14(2)21-12-6-10-18(17(21)22)9-5-11-20(18)13-16-8-4-7-15(3)19-16/h4,7-8,14H,5-6,9-13H2,1-3H3
InChIKeyYHWIQEFRKJHKQN-UHFFFAOYSA-N
XLogP2.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15124074
1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15724500
7-Cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24759748
1-[4-[3-(6-Methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]butan-1-one
CID 25183820
3,3-Dimethyl-1-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]butan-1-one
CID 57575054
[2-(2-Methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
CID 3235167
1-[4-[3-(6-Methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 155557326
2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 46942871
1-(3,4-dihydro-pyrazino[1,2-a]indol-2(1H)-yl)-2-(piperidin-1-yl)propan-1-one
CID 86581559
1-(3,4-dihydro-pyrazino[1,2-a]indol-2(1H)-yl)-2-(4-methyl-piperazin-1-yl)butan-1-one
CID 86582154
(S)-1-(3,4-dihydro-pyrazino[1,2-a]indol-2(1H)-yl)-2-(4-methyl-piperazin-1-yl)butan-1-one
CID 86582312
US10166214, Example 172
CID 117709208

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162627482) is 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is Cc1cccc(CN2CCCC23CCCN(C(C)C)C3=O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YHWIQEFRKJHKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)21-12-6-10-18(17(21)22)9-5-11-20(18)13-16-8-4-7-15(3)19-16/h4,7-8,14H,5-6,9-13H2,1-3H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 301.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162627482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).