4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C23H34FN3O2 — CID 91919151

IUPAC4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C23H34FN3O2/c1-17(2)25-22(28)26-12-10-23(11-13-26)15-21(9-14-29-23)27(20-7-8-20)16-18-3-5-19(24)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3,(H,25,28)
InChIKeyFDBSSRPNRHYIFV-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.92
Rot. Bonds5

About 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91919151) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91919151
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C23H34FN3O2/c1-17(2)25-22(28)26-12-10-23(11-13-26)15-21(9-14-29-23)27(20-7-8-20)16-18-3-5-19(24)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3,(H,25,28)
InChIKeyFDBSSRPNRHYIFV-UHFFFAOYSA-N
XLogP3.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919188
N-tert-butyl-4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919180
1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
CID 91919164
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919186
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methylpyrazin-2-yl)methanone
CID 91919170
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 91919144
4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919901
[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-2-yl)methanone
CID 91919125
2-[(4S)-9-(propan-2-ylcarbamoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
CID 99728106
1-cyclopropyl-3-ethyl-1-[9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 91909261
1-cyclopropyl-1-[9-[2-(4-methylphenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-propan-2-ylurea
CID 91909292
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91919151) is 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CC(C)NC(=O)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is FDBSSRPNRHYIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-17(2)25-22(28)26-12-10-23(11-13-26)15-21(9-14-29-23)27(20-7-8-20)16-18-3-5-19(24)6-4-18/h3-6,17,20-21H,7-16H2,1-2H3,(H,25,28).
What are the key properties of 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 403.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91919151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).