1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

C28H36ClN3O3 — CID 58967756

IUPAC1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCC(Oc4ccc(Cl)cc4)C3)c12
InChIInChI=1S/C28H36ClN3O3/c1-20(2)17-30-28(33)25-19-32(27-24(25)8-4-9-26(27)34-3)16-6-15-31-14-5-7-23(18-31)35-22-12-10-21(29)11-13-22/h4,8-13,19-20,23H,5-7,14-18H2,1-3H3,(H,30,33)
InChIKeyKEKSVJBPTOYHGY-UHFFFAOYSA-N
MW498.07 g/mol
LogP5.62
Rot. Bonds10

About 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide

1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 58967756) has the molecular formula C28H36ClN3O3 and a molecular weight of 498.07 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
PubChem CID58967756
Molecular FormulaC28H36ClN3O3
Molecular Weight498.07 g/mol
Exact Mass497.24
IUPAC Name1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCC(Oc4ccc(Cl)cc4)C3)c12
InChIInChI=1S/C28H36ClN3O3/c1-20(2)17-30-28(33)25-19-32(27-24(25)8-4-9-26(27)34-3)16-6-15-31-14-5-7-23(18-31)35-22-12-10-21(29)11-13-22/h4,8-13,19-20,23H,5-7,14-18H2,1-3H3,(H,30,33)
InChIKeyKEKSVJBPTOYHGY-UHFFFAOYSA-N
XLogP5.62
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.07
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide with MolForge

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Related Compounds

Unii-1U7V49ntqg
CID 10091392
pyridin-3-yl 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate
CID 10574865
7-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11546775
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 11201613
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 46919792
[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanone
CID 49862666
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide
CID 59295939
N-(S)-Fenchyl-1-(2-morpholinoethyl)-7-methoxyindole-3-carboxamide
CID 11743928
7-Methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-1H-indole-3-carboxamide
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ORG-28611 hydrochloride
CID 72941840
Indomethacin-amide derivative, 20
CID 4295
Indomethacin-amide derivative, 14
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide (CID 58967756) is 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCC(Oc4ccc(Cl)cc4)C3)c12.
What is the InChIKey of 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is KEKSVJBPTOYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN3O3/c1-20(2)17-30-28(33)25-19-32(27-24(25)8-4-9-26(27)34-3)16-6-15-31-14-5-7-23(18-31)35-22-12-10-21(29)11-13-22/h4,8-13,19-20,23H,5-7,14-18H2,1-3H3,(H,30,33).
What are the key properties of 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide?
1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 498.07 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 58967756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).