N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

C20H25N5O — CID 125440620

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCCn1ncnc1[C@H](C)NC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H25N5O/c1-3-25-18(21-14-22-25)15(2)23-19(26)24-12-10-20(11-13-24)9-8-16-6-4-5-7-17(16)20/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyGEHXCOJLRLYUAX-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.13
Rot. Bonds3

About N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide (PubChem CID 125440620) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
PubChem CID125440620
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESCCn1ncnc1[C@H](C)NC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H25N5O/c1-3-25-18(21-14-22-25)15(2)23-19(26)24-12-10-20(11-13-24)9-8-16-6-4-5-7-17(16)20/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyGEHXCOJLRLYUAX-HNNXBMFYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide (CID 125440620) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide is CCn1ncnc1[C@H](C)NC(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
The InChIKey is GEHXCOJLRLYUAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-25-18(21-14-22-25)15(2)23-19(26)24-12-10-20(11-13-24)9-8-16-6-4-5-7-17(16)20/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 125440620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).