6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone

C14H16ClNO — CID 97374342

IUPAC6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H16ClNO/c15-12-3-1-11(2-4-12)13(17)16-9-7-14(5-6-14)8-10-16/h1-4H,5-10H2
InChIKeyQOUXOQQTQVXWBC-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.36
Rot. Bonds1

About 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone

6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone (PubChem CID 97374342) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
PubChem CID97374342
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H16ClNO/c15-12-3-1-11(2-4-12)13(17)16-9-7-14(5-6-14)8-10-16/h1-4H,5-10H2
InChIKeyQOUXOQQTQVXWBC-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
3-amino-1-(4-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323378
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
6-azaspiro[2.5]octan-6-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 172647443
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone (CID 97374342) is 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC2.
What is the InChIKey of 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone?
The InChIKey is QOUXOQQTQVXWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-12-3-1-11(2-4-12)13(17)16-9-7-14(5-6-14)8-10-16/h1-4H,5-10H2.
What are the key properties of 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone?
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone has a molecular weight of 249.74 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone is sourced from PubChem (CID 97374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).