2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C19H26N4O3 — CID 131684723

IUPAC2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)nc1
InChIInChI=1S/C19H26N4O3/c1-26-15-10-20-17(21-11-15)18(25)22-7-5-19(6-8-22)9-16(24)23(13-19)12-14-3-2-4-14/h10-11,14H,2-9,12-13H2,1H3
InChIKeyHPLHYUHPIFJLRM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.74
Rot. Bonds4

About 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131684723) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131684723
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)nc1
InChIInChI=1S/C19H26N4O3/c1-26-15-10-20-17(21-11-15)18(25)22-7-5-19(6-8-22)9-16(24)23(13-19)12-14-3-2-4-14/h10-11,14H,2-9,12-13H2,1H3
InChIKeyHPLHYUHPIFJLRM-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131684723) is 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COc1cnc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)C3)nc1.
What is the InChIKey of 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HPLHYUHPIFJLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-26-15-10-20-17(21-11-15)18(25)22-7-5-19(6-8-22)9-16(24)23(13-19)12-14-3-2-4-14/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-8-(5-methoxypyrimidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131684723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).