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

C21H28FN3O3 — CID 131642120

IUPACN-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H28FN3O3/c22-17-5-3-4-16(12-17)13-23-20(27)25-14-18(19(26)24-8-1-2-9-24)21(15-25)6-10-28-11-7-21/h3-5,12,18H,1-2,6-11,13-15H2,(H,23,27)
InChIKeyFDXWGCDBYILIRR-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.39
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 131642120) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID131642120
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H28FN3O3/c22-17-5-3-4-16(12-17)13-23-20(27)25-14-18(19(26)24-8-1-2-9-24)21(15-25)6-10-28-11-7-21/h3-5,12,18H,1-2,6-11,13-15H2,(H,23,27)
InChIKeyFDXWGCDBYILIRR-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131651377
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054516
4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054524
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97451949
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 72847414

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 131642120) is N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCc1cccc(F)c1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is FDXWGCDBYILIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-17-5-3-4-16(12-17)13-23-20(27)25-14-18(19(26)24-8-1-2-9-24)21(15-25)6-10-28-11-7-21/h3-5,12,18H,1-2,6-11,13-15H2,(H,23,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).