3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide

C27H34N6O3 — CID 10529106

IUPAC3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
InChIKeyBWSZPXLKWNGQFZ-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.44
Rot. Bonds5

About 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide

3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide (PubChem CID 10529106) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide
PubChem CID10529106
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
InChIKeyBWSZPXLKWNGQFZ-UHFFFAOYSA-N
XLogP3.44
TPSA106.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide (CID 10529106) is 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide is COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The InChIKey is BWSZPXLKWNGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35).
What are the key properties of 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 10529106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).