3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one

C16H19Cl2NO — CID 159426534

IUPAC3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one
SMILESO=C(CCC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H19Cl2NO/c17-13-7-11(8-14(18)9-13)15(20)2-1-12-10-16(12)3-5-19-6-4-16/h7-9,12,19H,1-6,10H2
InChIKeyDNCIRKYKVKRFNW-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.35
Rot. Bonds4

About 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one

3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one (PubChem CID 159426534) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one
PubChem CID159426534
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one
SMILESO=C(CCC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H19Cl2NO/c17-13-7-11(8-14(18)9-13)15(20)2-1-12-10-16(12)3-5-19-6-4-16/h7-9,12,19H,1-6,10H2
InChIKeyDNCIRKYKVKRFNW-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzamide
CID 140937020
4-[3-(6-azaspiro[2.5]octan-2-yl)propylamino]-2-chlorobenzoic acid;hydrochloride
CID 153291106
3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
CID 150111649
4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide
CID 155024335
4-[3-[(2S)-6-azaspiro[2.5]octan-2-yl]propoxy]-2-chloro-N,N-dimethylbenzamide
CID 134434143
N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 140937028
N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63121984
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
4-[1-[(2S)-6-azaspiro[2.5]octan-2-yl]propan-2-ylamino]-2-chloro-N,N-dimethylbenzamide
CID 134442113
4-[[(2S)-1-[(2S)-6-azaspiro[2.5]octan-2-yl]propan-2-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 134442698
2H-benzotriazol-5-yl-[3-[(3,5-dichlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 90027200

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one?
The IUPAC name of 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one (CID 159426534) is 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one is O=C(CCC1CC12CCNCC2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one?
The InChIKey is DNCIRKYKVKRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c17-13-7-11(8-14(18)9-13)15(20)2-1-12-10-16(12)3-5-19-6-4-16/h7-9,12,19H,1-6,10H2.
What are the key properties of 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one?
3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one has a molecular weight of 312.24 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-2-yl)-1-(3,5-dichlorophenyl)propan-1-one is sourced from PubChem (CID 159426534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).