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

C28H33N5O2 — CID 44524830

IUPACN-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H33N5O2/c34-26(25-18-20-6-4-5-9-24(20)31-25)30-21-10-12-22(13-11-21)32-16-14-28(15-17-32)27(35)29-19-33(28)23-7-2-1-3-8-23/h1-9,18,21-22,31H,10-17,19H2,(H,29,35)(H,30,34)
InChIKeyCVAKASGQOSFGJG-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.64
Rot. Bonds4

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

N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 44524830) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide
PubChem CID44524830
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C28H33N5O2/c34-26(25-18-20-6-4-5-9-24(20)31-25)30-21-10-12-22(13-11-21)32-16-14-28(15-17-32)27(35)29-19-33(28)23-7-2-1-3-8-23/h1-9,18,21-22,31H,10-17,19H2,(H,29,35)(H,30,34)
InChIKeyCVAKASGQOSFGJG-UHFFFAOYSA-N
XLogP3.64
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide (CID 44524830) is N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is CVAKASGQOSFGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c34-26(25-18-20-6-4-5-9-24(20)31-25)30-21-10-12-22(13-11-21)32-16-14-28(15-17-32)27(35)29-19-33(28)23-7-2-1-3-8-23/h1-9,18,21-22,31H,10-17,19H2,(H,29,35)(H,30,34).
What are the key properties of N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide?
N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44524830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).