1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one

C24H27ClN2O2 — CID 21196197

IUPAC1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one
SMILESCC(C(=O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12)C1CCNCC1
InChIInChI=1S/C24H27ClN2O2/c1-16(17-11-13-26-14-12-17)24(28)23-20-5-3-4-6-21(20)27(2)22(23)15-29-19-9-7-18(25)8-10-19/h3-10,16-17,26H,11-15H2,1-2H3
InChIKeyWNAUYCJCAQXOQT-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.23
Rot. Bonds6

About 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one

1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one (PubChem CID 21196197) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one
PubChem CID21196197
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one
SMILESCC(C(=O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12)C1CCNCC1
InChIInChI=1S/C24H27ClN2O2/c1-16(17-11-13-26-14-12-17)24(28)23-20-5-3-4-6-21(20)27(2)22(23)15-29-19-9-7-18(25)8-10-19/h3-10,16-17,26H,11-15H2,1-2H3
InChIKeyWNAUYCJCAQXOQT-UHFFFAOYSA-N
XLogP5.23
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 21196057
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(1-tritylpiperidin-4-yl)ethanone
CID 21196217
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 20662366
N-(3-aminopropyl)-2-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-oxoacetamide
CID 21195958
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethane-1,2-dione
CID 20662363
3-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]prop-2-enoic acid
CID 54353537
(E)-3-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 21196002
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethane-1,2-diol
CID 174379347
1-[2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 21196226
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanol
CID 20662361
1-[2-[(4-chlorophenoxy)methyl]-5-fluoro-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 20662371
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one (CID 21196197) is 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one is CC(C(=O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12)C1CCNCC1.
What is the InChIKey of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one?
The InChIKey is WNAUYCJCAQXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-16(17-11-13-26-14-12-17)24(28)23-20-5-3-4-6-21(20)27(2)22(23)15-29-19-9-7-18(25)8-10-19/h3-10,16-17,26H,11-15H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one?
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one has a molecular weight of 410.95 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 21196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).