N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide

C25H29N5O2 — CID 118722105

IUPACN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2ccccc2[nH]1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-18(16-26-23(31)22-15-19-7-5-6-10-21(19)28-22)29-13-11-25(12-14-29)24(32)27-17-30(25)20-8-3-2-4-9-20/h2-10,15,18,28H,11-14,16-17H2,1H3,(H,26,31)(H,27,32)
InChIKeyCTTRQHYEYOUQGF-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 118722105) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide
PubChem CID118722105
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2ccccc2[nH]1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-18(16-26-23(31)22-15-19-7-5-6-10-21(19)28-22)29-13-11-25(12-14-29)24(32)27-17-30(25)20-8-3-2-4-9-20/h2-10,15,18,28H,11-14,16-17H2,1H3,(H,26,31)(H,27,32)
InChIKeyCTTRQHYEYOUQGF-UHFFFAOYSA-N
XLogP2.71
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide (CID 118722105) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide is CC(CNC(=O)c1cc2ccccc2[nH]1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is CTTRQHYEYOUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18(16-26-23(31)22-15-19-7-5-6-10-21(19)28-22)29-13-11-25(12-14-29)24(32)27-17-30(25)20-8-3-2-4-9-20/h2-10,15,18,28H,11-14,16-17H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide?
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118722105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).