(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H25FN2O2 — CID 135374927

IUPAC(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C2CC2)C1=O
InChIInChI=1S/C19H25FN2O2/c1-14-18(23)22(17-6-7-17)13-19(24-14)8-10-21(11-9-19)12-15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1
InChIKeyZOVLTIZCBQXPMP-AWEZNQCLSA-N
MW332.42 g/mol
LogP2.57
Rot. Bonds3

About (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374927) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374927
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C2CC2)C1=O
InChIInChI=1S/C19H25FN2O2/c1-14-18(23)22(17-6-7-17)13-19(24-14)8-10-21(11-9-19)12-15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1
InChIKeyZOVLTIZCBQXPMP-AWEZNQCLSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095

Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374927) is (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)CN(C2CC2)C1=O.
What is the InChIKey of (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZOVLTIZCBQXPMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14-18(23)22(17-6-7-17)13-19(24-14)8-10-21(11-9-19)12-15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclopropyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).