2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

C19H28FN3O2 — CID 97372769

IUPAC2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTXVICUOIIWFDHU-IBGZPJMESA-N
MW349.45 g/mol
LogP1.49
Rot. Bonds4

About 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (PubChem CID 97372769) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
PubChem CID97372769
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTXVICUOIIWFDHU-IBGZPJMESA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The IUPAC name of 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (CID 97372769) is 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The canonical SMILES for 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is CNC(=O)CN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The InChIKey is TXVICUOIIWFDHU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide has a molecular weight of 349.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is sourced from PubChem (CID 97372769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).