8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C19H28N4O — CID 53470301

IUPAC8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESNC1(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)CCCC1
InChIInChI=1S/C19H28N4O/c20-18(8-4-5-9-18)14-22-12-10-19(11-13-22)17(24)21-15-23(19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,24)
InChIKeyRKRAWIURHCEHDU-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.69
Rot. Bonds3

About 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 53470301) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID53470301
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESNC1(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)CCCC1
InChIInChI=1S/C19H28N4O/c20-18(8-4-5-9-18)14-22-12-10-19(11-13-22)17(24)21-15-23(19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,24)
InChIKeyRKRAWIURHCEHDU-UHFFFAOYSA-N
XLogP1.69
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
[5-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]methyl acetate
CID 3763751
1-phenyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156328
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
8-(1λ3-iodacyclohexa-1,3,5-trien-4-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 154012135
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
CID 161050495
3-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 3688277
8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18782409
(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
CID 7327809

Frequently Asked Questions

What is the IUPAC name of 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 53470301) is 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is NC1(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)CCCC1.
What is the InChIKey of 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is RKRAWIURHCEHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c20-18(8-4-5-9-18)14-22-12-10-19(11-13-22)17(24)21-15-23(19)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,20H2,(H,21,24).
What are the key properties of 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 328.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 53470301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).