N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

C28H28FN3O3 — CID 42540053

IUPACN-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1
InChIInChI=1S/C28H28FN3O3/c29-23-9-7-20(8-10-23)21-4-3-5-22(18-21)27(34)32-16-13-28(14-17-32)12-11-24(35-28)19-31-26(33)25-6-1-2-15-30-25/h1-10,15,18,24H,11-14,16-17,19H2,(H,31,33)/t24-/m0/s1
InChIKeyKOGYUIQXUVTTFO-DEOSSOPVSA-N
MW473.55 g/mol
LogP4.47
Rot. Bonds5

About N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 42540053) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
PubChem CID42540053
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1
InChIInChI=1S/C28H28FN3O3/c29-23-9-7-20(8-10-23)21-4-3-5-22(18-21)27(34)32-16-13-28(14-17-32)12-11-24(35-28)19-31-26(33)25-6-1-2-15-30-25/h1-10,15,18,24H,11-14,16-17,19H2,(H,31,33)/t24-/m0/s1
InChIKeyKOGYUIQXUVTTFO-DEOSSOPVSA-N
XLogP4.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42211888
N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45215279
N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 42499867
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 56852446
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
2-naphthalen-1-yl-N-[[(2R)-8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42367998
3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (CID 42540053) is N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1.
What is the InChIKey of N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is KOGYUIQXUVTTFO-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-23-9-7-20(8-10-23)21-4-3-5-22(18-21)27(34)32-16-13-28(14-17-32)12-11-24(35-28)19-31-26(33)25-6-1-2-15-30-25/h1-10,15,18,24H,11-14,16-17,19H2,(H,31,33)/t24-/m0/s1.
What are the key properties of N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?
N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-[3-(4-fluorophenyl)benzoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 42540053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).