N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C18H26FN3O2 — CID 91910495

IUPACN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCC1CN(C(=O)NCc2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C18H26FN3O2/c1-24-12-15-11-22(13-18(15)6-8-20-9-7-18)17(23)21-10-14-2-4-16(19)5-3-14/h2-5,15,20H,6-13H2,1H3,(H,21,23)
InChIKeyDWWDCAFWCZYDTD-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.98
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 91910495) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID91910495
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCC1CN(C(=O)NCc2ccc(F)cc2)CC12CCNCC2
InChIInChI=1S/C18H26FN3O2/c1-24-12-15-11-22(13-18(15)6-8-20-9-7-18)17(23)21-10-14-2-4-16(19)5-3-14/h2-5,15,20H,6-13H2,1H3,(H,21,23)
InChIKeyDWWDCAFWCZYDTD-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N2-[(4-Fluorophenyl)methyl]-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91924909
4-(Methoxymethyl)-2-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 91922012
N-allyl-3-[1-(2,3-difluorobenzyl)-4-piperidinyl]-1-pyrrolidinecarboxamide
CID 45202534
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746900
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746957
N-[(4-fluorophenyl)methyl]-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 52992926
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686940
1-[(3-Fluorophenyl)methyl]-3-(2-methoxyethyl)-3-[(4-methyloxan-4-YL)methyl]urea
CID 71686961
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71868397
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971667
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971684

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 91910495) is N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is COCC1CN(C(=O)NCc2ccc(F)cc2)CC12CCNCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is DWWDCAFWCZYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-24-12-15-11-22(13-18(15)6-8-20-9-7-18)17(23)21-10-14-2-4-16(19)5-3-14/h2-5,15,20H,6-13H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 91910495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).