(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide

C22H29N3O5 — CID 124793042

IUPAC(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NO[C@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)[C@@H]12
InChIInChI=1S/C22H29N3O5/c26-20(23-14-16-2-1-11-29-16)19-18-17(30-24-19)3-6-22(18)7-9-25(10-8-22)21(27)15-4-12-28-13-5-15/h1-2,11,15,17-18H,3-10,12-14H2,(H,23,26)/t17-,18+/m0/s1
InChIKeyLPPIOYRNKJRTCE-ZWKOTPCHSA-N
MW415.49 g/mol
LogP2.10
Rot. Bonds4

About (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide

(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide (PubChem CID 124793042) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide
PubChem CID124793042
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide
SMILESO=C(NCc1ccco1)C1=NO[C@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)[C@@H]12
InChIInChI=1S/C22H29N3O5/c26-20(23-14-16-2-1-11-29-16)19-18-17(30-24-19)3-6-22(18)7-9-25(10-8-22)21(27)15-4-12-28-13-5-15/h1-2,11,15,17-18H,3-10,12-14H2,(H,23,26)/t17-,18+/m0/s1
InChIKeyLPPIOYRNKJRTCE-ZWKOTPCHSA-N
XLogP2.10
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131647013
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 43075806
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113
8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820796
N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134072540
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide?
The IUPAC name of (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide (CID 124793042) is (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide is O=C(NCc1ccco1)C1=NO[C@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)[C@@H]12.
What is the InChIKey of (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide?
The InChIKey is LPPIOYRNKJRTCE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-20(23-14-16-2-1-11-29-16)19-18-17(30-24-19)3-6-22(18)7-9-25(10-8-22)21(27)15-4-12-28-13-5-15/h1-2,11,15,17-18H,3-10,12-14H2,(H,23,26)/t17-,18+/m0/s1.
What are the key properties of (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide?
(3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(furan-2-ylmethyl)-1'-(oxane-4-carbonyl)spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 124793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).