(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

C19H25FN2O — CID 110131013

IUPAC(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(CC3CCC3)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C19H25FN2O/c20-17-8-2-1-7-15(17)16-12-22(11-14-5-3-6-14)13-19(16)10-4-9-18(23)21-19/h1-2,7-8,14,16H,3-6,9-13H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyGCSQGQGIGGATSB-QFBILLFUSA-N
MW316.42 g/mol
LogP3.06
Rot. Bonds3

About (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110131013) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110131013
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(CC3CCC3)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C19H25FN2O/c20-17-8-2-1-7-15(17)16-12-22(11-14-5-3-6-14)13-19(16)10-4-9-18(23)21-19/h1-2,7-8,14,16H,3-6,9-13H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyGCSQGQGIGGATSB-QFBILLFUSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (CID 110131013) is (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(CC3CCC3)C[C@H]2c2ccccc2F)N1.
What is the InChIKey of (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is GCSQGQGIGGATSB-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-17-8-2-1-7-15(17)16-12-22(11-14-5-3-6-14)13-19(16)10-4-9-18(23)21-19/h1-2,7-8,14,16H,3-6,9-13H2,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 316.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(cyclobutylmethyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110131013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).