N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide

C22H31N5O3 — CID 56566441

IUPACN,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H31N5O3/c1-15(2)21(29)26-11-8-17(9-12-26)23-22(30)24-18-5-6-19-16(13-18)7-10-27(19)14-20(28)25(3)4/h5-7,10,13,15,17H,8-9,11-12,14H2,1-4H3,(H2,23,24,30)
InChIKeyKRNANZPRISAXDS-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.50
Rot. Bonds5

About N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide

N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide (PubChem CID 56566441) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
PubChem CID56566441
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)CC1
InChIInChI=1S/C22H31N5O3/c1-15(2)21(29)26-11-8-17(9-12-26)23-22(30)24-18-5-6-19-16(13-18)7-10-27(19)14-20(28)25(3)4/h5-7,10,13,15,17H,8-9,11-12,14H2,1-4H3,(H2,23,24,30)
InChIKeyKRNANZPRISAXDS-UHFFFAOYSA-N
XLogP2.50
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566505
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566383
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide (CID 56566441) is N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide is CC(C)C(=O)N1CCC(NC(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)CC1.
What is the InChIKey of N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide?
The InChIKey is KRNANZPRISAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15(2)21(29)26-11-8-17(9-12-26)23-22(30)24-18-5-6-19-16(13-18)7-10-27(19)14-20(28)25(3)4/h5-7,10,13,15,17H,8-9,11-12,14H2,1-4H3,(H2,23,24,30).
What are the key properties of N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide?
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 56566441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).