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

C19H25FN2O2 — CID 155949071

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H25FN2O2/c20-16-3-1-15(2-4-16)19(5-6-19)13-21-17(23)22-10-7-18(14-22)8-11-24-12-9-18/h1-4H,5-14H2,(H,21,23)
InChIKeyLWLQMZVRMJNIAA-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.07
Rot. Bonds3

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

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 155949071) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID155949071
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H25FN2O2/c20-16-3-1-15(2-4-16)19(5-6-19)13-21-17(23)22-10-7-18(14-22)8-11-24-12-9-18/h1-4H,5-14H2,(H,21,23)
InChIKeyLWLQMZVRMJNIAA-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126780903
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 94656646
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 155949071) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is LWLQMZVRMJNIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-3-1-15(2-4-16)19(5-6-19)13-21-17(23)22-10-7-18(14-22)8-11-24-12-9-18/h1-4H,5-14H2,(H,21,23).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 155949071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).