N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C21H28FN3O3 — CID 87054529

IUPACN-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H28FN3O3/c22-16-5-4-6-17(13-16)23-20(27)25-14-18(19(26)24-9-2-1-3-10-24)21(15-25)7-11-28-12-8-21/h4-6,13,18H,1-3,7-12,14-15H2,(H,23,27)
InChIKeyMMJJCLLFZLDGQM-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.10
Rot. Bonds2

About N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054529) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054529
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H28FN3O3/c22-16-5-4-6-17(13-16)23-20(27)25-14-18(19(26)24-9-2-1-3-10-24)21(15-25)7-11-28-12-8-21/h4-6,13,18H,1-3,7-12,14-15H2,(H,23,27)
InChIKeyMMJJCLLFZLDGQM-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054529) is N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(Nc1cccc(F)c1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is MMJJCLLFZLDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-16-5-4-6-17(13-16)23-20(27)25-14-18(19(26)24-9-2-1-3-10-24)21(15-25)7-11-28-12-8-21/h4-6,13,18H,1-3,7-12,14-15H2,(H,23,27).
What are the key properties of N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).