4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C21H30FN3O2 — CID 134807697

IUPAC4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCN1CCC(CN2CCC3(CC2)OCCN(c2ccc(F)cc2)C3=O)CC1
InChIInChI=1S/C21H30FN3O2/c1-23-10-6-17(7-11-23)16-24-12-8-21(9-13-24)20(26)25(14-15-27-21)19-4-2-18(22)3-5-19/h2-5,17H,6-16H2,1H3
InChIKeyKQRCYCVZJXSBJP-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.37
Rot. Bonds3

About 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134807697) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134807697
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCN1CCC(CN2CCC3(CC2)OCCN(c2ccc(F)cc2)C3=O)CC1
InChIInChI=1S/C21H30FN3O2/c1-23-10-6-17(7-11-23)16-24-12-8-21(9-13-24)20(26)25(14-15-27-21)19-4-2-18(22)3-5-19/h2-5,17H,6-16H2,1H3
InChIKeyKQRCYCVZJXSBJP-UHFFFAOYSA-N
XLogP2.37
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134807458
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 146415369
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
CID 171779138
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134807697) is 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is CN1CCC(CN2CCC3(CC2)OCCN(c2ccc(F)cc2)C3=O)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is KQRCYCVZJXSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-23-10-6-17(7-11-23)16-24-12-8-21(9-13-24)20(26)25(14-15-27-21)19-4-2-18(22)3-5-19/h2-5,17H,6-16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 375.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134807697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).