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

C22H30FN3O3 — CID 87054527

IUPACN-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C22H30FN3O3/c23-18-6-4-17(5-7-18)14-24-21(28)26-15-19(20(27)25-10-2-1-3-11-25)22(16-26)8-12-29-13-9-22/h4-7,19H,1-3,8-16H2,(H,24,28)
InChIKeyKBOTYRDNRKGMMQ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.78
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054527) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054527
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C22H30FN3O3/c23-18-6-4-17(5-7-18)14-24-21(28)26-15-19(20(27)25-10-2-1-3-11-25)22(16-26)8-12-29-13-9-22/h4-7,19H,1-3,8-16H2,(H,24,28)
InChIKeyKBOTYRDNRKGMMQ-UHFFFAOYSA-N
XLogP2.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054527) is N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCc1ccc(F)cc1)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is KBOTYRDNRKGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c23-18-6-4-17(5-7-18)14-24-21(28)26-15-19(20(27)25-10-2-1-3-11-25)22(16-26)8-12-29-13-9-22/h4-7,19H,1-3,8-16H2,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).