N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C21H30FN3O2 — CID 126443514

IUPACN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19(24-11-1-2-12-24)16-23-20(26)25-13-9-21(10-14-25)8-3-15-27-21/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyCGCCTIKJLOQSEJ-LJQANCHMSA-N
MW375.49 g/mol
LogP3.32
Rot. Bonds4

About N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 126443514) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID126443514
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19(24-11-1-2-12-24)16-23-20(26)25-13-9-21(10-14-25)8-3-15-27-21/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1
InChIKeyCGCCTIKJLOQSEJ-LJQANCHMSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
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CID 126432703
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
CID 124756832
N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110203876
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 122563662
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 31383033
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 126443514) is N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)N1CCC2(CCCO2)CC1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CGCCTIKJLOQSEJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-18-6-4-17(5-7-18)19(24-11-1-2-12-24)16-23-20(26)25-13-9-21(10-14-25)8-3-15-27-21/h4-7,19H,1-3,8-16H2,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 126443514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).