8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

C19H22Cl2FN3O3 — CID 146492930

IUPAC8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(C2NCC(Cl)CC2F)C(=O)C12COC2
InChIInChI=1S/C19H22Cl2FN3O3/c1-11(12-2-4-13(20)5-3-12)25-16(26)8-24(18(27)19(25)9-28-10-19)17-15(22)6-14(21)7-23-17/h2-5,11,14-15,17,23H,6-10H2,1H3/t11-,14?,15?,17?/m0/s1
InChIKeyLSJFBSYAIIIFBA-WFVCENDPSA-N
MW430.31 g/mol
LogP2.11
Rot. Bonds3

About 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione

8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 146492930) has the molecular formula C19H22Cl2FN3O3 and a molecular weight of 430.31 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID146492930
Molecular FormulaC19H22Cl2FN3O3
Molecular Weight430.31 g/mol
Exact Mass429.10
IUPAC Name8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(C2NCC(Cl)CC2F)C(=O)C12COC2
InChIInChI=1S/C19H22Cl2FN3O3/c1-11(12-2-4-13(20)5-3-12)25-16(26)8-24(18(27)19(25)9-28-10-19)17-15(22)6-14(21)7-23-17/h2-5,11,14-15,17,23H,6-10H2,1H3/t11-,14?,15?,17?/m0/s1
InChIKeyLSJFBSYAIIIFBA-WFVCENDPSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 146492930) is 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is C[C@@H](c1ccc(Cl)cc1)N1C(=O)CN(C2NCC(Cl)CC2F)C(=O)C12COC2.
What is the InChIKey of 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is LSJFBSYAIIIFBA-WFVCENDPSA-N. The full InChI is InChI=1S/C19H22Cl2FN3O3/c1-11(12-2-4-13(20)5-3-12)25-16(26)8-24(18(27)19(25)9-28-10-19)17-15(22)6-14(21)7-23-17/h2-5,11,14-15,17,23H,6-10H2,1H3/t11-,14?,15?,17?/m0/s1.
What are the key properties of 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione?
8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 430.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-fluoropiperidin-2-yl)-5-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxa-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146492930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).