5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one

C20H29N3O2 — CID 56905879

IUPAC5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCC4)C3)C2)c[nH]1
InChIInChI=1S/C20H29N3O2/c1-15-10-18(24)17(11-21-15)19(25)23-9-7-20(14-23)6-3-8-22(13-20)12-16-4-2-5-16/h10-11,16H,2-9,12-14H2,1H3,(H,21,24)
InChIKeyLEJGNBODMNNDQR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.41
Rot. Bonds3

About 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one

5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 56905879) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID56905879
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCC4)C3)C2)c[nH]1
InChIInChI=1S/C20H29N3O2/c1-15-10-18(24)17(11-21-15)19(25)23-9-7-20(14-23)6-3-8-22(13-20)12-16-4-2-5-16/h10-11,16H,2-9,12-14H2,1H3,(H,21,24)
InChIKeyLEJGNBODMNNDQR-UHFFFAOYSA-N
XLogP2.41
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one (CID 56905879) is 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCC4)C3)C2)c[nH]1.
What is the InChIKey of 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is LEJGNBODMNNDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-10-18(24)17(11-21-15)19(25)23-9-7-20(14-23)6-3-8-22(13-20)12-16-4-2-5-16/h10-11,16H,2-9,12-14H2,1H3,(H,21,24).
What are the key properties of 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 343.47 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 56905879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).