N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C27H44N4O3 — CID 158134164

IUPACN-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCN(CC(=O)N4CCC[C@H]4CO)CC3)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C27H40N4O3.2H2/c1-20(33)28-25-17-27(24-7-3-2-6-23(24)25)10-15-30(16-11-27)21-8-13-29(14-9-21)18-26(34)31-12-4-5-22(31)19-32;;/h2-3,6-7,21-22,25,32H,4-5,8-19H2,1H3,(H,28,33);2*1H/t22-,25-;;/m0../s1
InChIKeyFTDIQOJQRFMNFN-SKCIXKRKSA-N
MW472.67 g/mol
LogP2.54
Rot. Bonds5

About N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 158134164) has the molecular formula C27H44N4O3 and a molecular weight of 472.67 g/mol. Its IUPAC name is N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID158134164
Molecular FormulaC27H44N4O3
Molecular Weight472.67 g/mol
Exact Mass472.34
IUPAC NameN-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCN(CC(=O)N4CCC[C@H]4CO)CC3)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C27H40N4O3.2H2/c1-20(33)28-25-17-27(24-7-3-2-6-23(24)25)10-15-30(16-11-27)21-8-13-29(14-9-21)18-26(34)31-12-4-5-22(31)19-32;;/h2-3,6-7,21-22,25,32H,4-5,8-19H2,1H3,(H,28,33);2*1H/t22-,25-;;/m0../s1
InChIKeyFTDIQOJQRFMNFN-SKCIXKRKSA-N
XLogP2.54
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 158134164) is N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CC2(CCN(C3CCN(CC(=O)N4CCC[C@H]4CO)CC3)CC2)c2ccccc21.[H][H].[H][H].
What is the InChIKey of N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is FTDIQOJQRFMNFN-SKCIXKRKSA-N. The full InChI is InChI=1S/C27H40N4O3.2H2/c1-20(33)28-25-17-27(24-7-3-2-6-23(24)25)10-15-30(16-11-27)21-8-13-29(14-9-21)18-26(34)31-12-4-5-22(31)19-32;;/h2-3,6-7,21-22,25,32H,4-5,8-19H2,1H3,(H,28,33);2*1H/t22-,25-;;/m0../s1.
What are the key properties of N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 472.67 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158134164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).