2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate

C23H27N3O3S — CID 69475648

IUPAC2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccs4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-14(2)13-29-23(28)26-7-5-15(6-8-26)19-12-25-21-17(19)10-16(11-18(21)22(24)27)20-4-3-9-30-20/h3-4,9-12,14-15,25H,5-8,13H2,1-2H3,(H2,24,27)
InChIKeyHCOIZUDUIINOIF-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.97
Rot. Bonds5

About 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate

2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 69475648) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID69475648
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccs4)cc23)CC1
InChIInChI=1S/C23H27N3O3S/c1-14(2)13-29-23(28)26-7-5-15(6-8-26)19-12-25-21-17(19)10-16(11-18(21)22(24)27)20-4-3-9-30-20/h3-4,9-12,14-15,25H,5-8,13H2,1-2H3,(H2,24,27)
InChIKeyHCOIZUDUIINOIF-UHFFFAOYSA-N
XLogP4.97
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 59003292
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 143205423
3-(1,1-dihydroxy-2,2-dimethylthian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746140
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
2-methylpropyl 4-[7-carbamoyl-5-(3-fluorophenyl)-2H-indazol-3-yl]piperidine-1-carboxylate
CID 68866062
3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-5-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-indole-7-carboxamide
CID 46892521
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42628905
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-(1-thiophen-2-ylsulfinylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 143205379

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate (CID 69475648) is 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccs4)cc23)CC1.
What is the InChIKey of 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is HCOIZUDUIINOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-14(2)13-29-23(28)26-7-5-15(6-8-26)19-12-25-21-17(19)10-16(11-18(21)22(24)27)20-4-3-9-30-20/h3-4,9-12,14-15,25H,5-8,13H2,1-2H3,(H2,24,27).
What are the key properties of 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate?
2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 425.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69475648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).