1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone

C17H22ClNO — CID 63158222

IUPAC1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyPKBLXTHDVWLFKA-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.70
Rot. Bonds2

About 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone

1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone (PubChem CID 63158222) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
PubChem CID63158222
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C17H22ClNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyPKBLXTHDVWLFKA-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
8-[2-chloro-4-(chloromethyl)phenyl]-8-azaspiro[4.5]decane
CID 81151754
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
1-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanone
CID 82954204
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone?
The IUPAC name of 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone (CID 63158222) is 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone.
What is the SMILES notation for 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone?
The canonical SMILES for 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone is CC(=O)c1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone?
The InChIKey is PKBLXTHDVWLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-13(20)14-4-5-16(15(18)12-14)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone?
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone has a molecular weight of 291.82 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone is sourced from PubChem (CID 63158222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).