9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

C21H31N3O — CID 70717744

IUPAC9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESNCCc1cccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H31N3O/c22-11-7-17-2-1-3-18(14-17)15-23-12-9-21(10-13-23)8-6-20(25)24(16-21)19-4-5-19/h1-3,14,19H,4-13,15-16,22H2
InChIKeyLPZHECPOQUQELY-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.55
Rot. Bonds5

About 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70717744) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70717744
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESNCCc1cccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H31N3O/c22-11-7-17-2-1-3-18(14-17)15-23-12-9-21(10-13-23)8-6-20(25)24(16-21)19-4-5-19/h1-3,14,19H,4-13,15-16,22H2
InChIKeyLPZHECPOQUQELY-UHFFFAOYSA-N
XLogP2.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70719955
2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
9-[[4-(2-aminoethyl)phenyl]methyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154896501
2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
2-cyclopropyl-9-[2-(3-ethoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70714080
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70749258
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615
2-cyclopentyl-9-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733482
9-[(4-methoxyphenyl)methyl]-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137091
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70717744) is 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is NCCc1cccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1.
What is the InChIKey of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LPZHECPOQUQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c22-11-7-17-2-1-3-18(14-17)15-23-12-9-21(10-13-23)8-6-20(25)24(16-21)19-4-5-19/h1-3,14,19H,4-13,15-16,22H2.
What are the key properties of 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).