1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one

C18H25ClN2O2 — CID 97393060

IUPAC1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-23-12-7-17(22)20-11-9-18(14-20)8-2-10-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3/t18-/m0/s1
InChIKeyWSZALTBSWHEWAK-SFHVURJKSA-N
MW336.86 g/mol
LogP2.94
Rot. Bonds5

About 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one

1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one (PubChem CID 97393060) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
PubChem CID97393060
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O2/c1-23-12-7-17(22)20-11-9-18(14-20)8-2-10-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3/t18-/m0/s1
InChIKeyWSZALTBSWHEWAK-SFHVURJKSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(5S)-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-4-oxobutanoate
CID 97393313
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
1-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
3-(4-chlorophenyl)-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]propan-1-one
CID 131678677
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
3-(4-chlorophenyl)-1-(1-methyl-1,8-diazaspiro[3.5]nonan-8-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155867079
1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one
CID 95208439
1-[6-[(4-chlorophenyl)methyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-methoxypropan-1-one
CID 131640803
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one (CID 97393060) is 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one is COCCC(=O)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one?
The InChIKey is WSZALTBSWHEWAK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-23-12-7-17(22)20-11-9-18(14-20)8-2-10-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one?
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one has a molecular weight of 336.86 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 97393060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).