1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one

C20H26F2N2O — CID 155876706

IUPAC1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3ccc(F)c(F)c3)CC2)N1CC1CC1
InChIInChI=1S/C20H26F2N2O/c21-17-4-3-15(11-18(17)22)12-23-16-5-8-20(9-6-16)10-7-19(25)24(20)13-14-1-2-14/h3-4,11,14,16,23H,1-2,5-10,12-13H2
InChIKeyGSCXVSWRWHKIIV-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.77
Rot. Bonds5

About 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one (PubChem CID 155876706) has the molecular formula C20H26F2N2O and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
PubChem CID155876706
Molecular FormulaC20H26F2N2O
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3ccc(F)c(F)c3)CC2)N1CC1CC1
InChIInChI=1S/C20H26F2N2O/c21-17-4-3-15(11-18(17)22)12-23-16-5-8-20(9-6-16)10-7-19(25)24(20)13-14-1-2-14/h3-4,11,14,16,23H,1-2,5-10,12-13H2
InChIKeyGSCXVSWRWHKIIV-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155875735
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
CID 97397463
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one (CID 155876706) is 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(NCc3ccc(F)c(F)c3)CC2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The InChIKey is GSCXVSWRWHKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O/c21-17-4-3-15(11-18(17)22)12-23-16-5-8-20(9-6-16)10-7-19(25)24(20)13-14-1-2-14/h3-4,11,14,16,23H,1-2,5-10,12-13H2.
What are the key properties of 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one has a molecular weight of 348.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 155876706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).