7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H29N3O2 — CID 119058394

IUPAC7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1c[nH]c(CN2CCC3(CCCN(CC4CC4)C3=O)C2)c(C)c1=O
InChIInChI=1S/C20H29N3O2/c1-14-10-21-17(15(2)18(14)24)12-22-9-7-20(13-22)6-3-8-23(19(20)25)11-16-4-5-16/h10,16H,3-9,11-13H2,1-2H3,(H,21,24)
InChIKeyKXYJRJFRSHJBSI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.22
Rot. Bonds4

About 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119058394) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID119058394
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1c[nH]c(CN2CCC3(CCCN(CC4CC4)C3=O)C2)c(C)c1=O
InChIInChI=1S/C20H29N3O2/c1-14-10-21-17(15(2)18(14)24)12-22-9-7-20(13-22)6-3-8-23(19(20)25)11-16-4-5-16/h10,16H,3-9,11-13H2,1-2H3,(H,21,24)
InChIKeyKXYJRJFRSHJBSI-UHFFFAOYSA-N
XLogP2.22
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 119058394) is 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1c[nH]c(CN2CCC3(CCCN(CC4CC4)C3=O)C2)c(C)c1=O.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KXYJRJFRSHJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-10-21-17(15(2)18(14)24)12-22-9-7-20(13-22)6-3-8-23(19(20)25)11-16-4-5-16/h10,16H,3-9,11-13H2,1-2H3,(H,21,24).
What are the key properties of 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 343.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119058394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).