1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one

C21H30N2O2 — CID 155875735

IUPAC1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
SMILESCOc1cccc(CNC2CCC3(CCC(=O)N3CC3CC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-25-19-4-2-3-17(13-19)14-22-18-7-10-21(11-8-18)12-9-20(24)23(21)15-16-5-6-16/h2-4,13,16,18,22H,5-12,14-15H2,1H3
InChIKeyMDBHISQWEHKJKW-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.50
Rot. Bonds6

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

1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one (PubChem CID 155875735) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
PubChem CID155875735
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
SMILESCOc1cccc(CNC2CCC3(CCC(=O)N3CC3CC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-25-19-4-2-3-17(13-19)14-22-18-7-10-21(11-8-18)12-9-20(24)23(21)15-16-5-6-16/h2-4,13,16,18,22H,5-12,14-15H2,1H3
InChIKeyMDBHISQWEHKJKW-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155876706
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)acetamide
CID 97397454
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide
CID 97494250
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
CID 97397463

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one (CID 155875735) is 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one is COc1cccc(CNC2CCC3(CCC(=O)N3CC3CC3)CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
The InChIKey is MDBHISQWEHKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-25-19-4-2-3-17(13-19)14-22-18-7-10-21(11-8-18)12-9-20(24)23(21)15-16-5-6-16/h2-4,13,16,18,22H,5-12,14-15H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 155875735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).