1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C23H30ClN3O2 — CID 86624852

IUPAC1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1N(CCCOCc2ccccc2)CN(c2ccccc2)C12CCNCC2
InChIInChI=1S/C23H29N3O2.ClH/c27-22-23(12-14-24-15-13-23)26(21-10-5-2-6-11-21)19-25(22)16-7-17-28-18-20-8-3-1-4-9-20;/h1-6,8-11,24H,7,12-19H2;1H
InChIKeyLFPNDPJRBQRJBR-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.44
Rot. Bonds7

About 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 86624852) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID86624852
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCl.O=C1N(CCCOCc2ccccc2)CN(c2ccccc2)C12CCNCC2
InChIInChI=1S/C23H29N3O2.ClH/c27-22-23(12-14-24-15-13-23)26(21-10-5-2-6-11-21)19-25(22)16-7-17-28-18-20-8-3-1-4-9-20;/h1-6,8-11,24H,7,12-19H2;1H
InChIKeyLFPNDPJRBQRJBR-UHFFFAOYSA-N
XLogP3.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[[3-(1-phenylmethoxyethenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 126663041
3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54506307
3-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540408
3-[(3-acetylphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58046666
N-[4-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]phenyl]methanesulfonamide;hydrochloride
CID 131731301
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451
bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 91223642
1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21493483
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949
3-[9-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-3-yl]nonyl]-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 11411841
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3949691

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 86624852) is 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is Cl.O=C1N(CCCOCc2ccccc2)CN(c2ccccc2)C12CCNCC2.
What is the InChIKey of 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is LFPNDPJRBQRJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c27-22-23(12-14-24-15-13-23)26(21-10-5-2-6-11-21)19-25(22)16-7-17-28-18-20-8-3-1-4-9-20;/h1-6,8-11,24H,7,12-19H2;1H.
What are the key properties of 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylmethoxypropyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 86624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).