N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide

C20H29N3O3 — CID 95894023

IUPACN-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O
InChIInChI=1S/C20H29N3O3/c1-15(14-26-2)21-19(24)16-6-7-18-17(12-16)13-23(20(18)25)11-10-22-8-4-3-5-9-22/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyOGYVCALOZCRXLP-HNNXBMFYSA-N
MW359.47 g/mol
LogP1.89
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide (PubChem CID 95894023) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide
PubChem CID95894023
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O
InChIInChI=1S/C20H29N3O3/c1-15(14-26-2)21-19(24)16-6-7-18-17(12-16)13-23(20(18)25)11-10-22-8-4-3-5-9-22/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyOGYVCALOZCRXLP-HNNXBMFYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide (CID 95894023) is N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide is COC[C@H](C)NC(=O)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide?
The InChIKey is OGYVCALOZCRXLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(14-26-2)21-19(24)16-6-7-18-17(12-16)13-23(20(18)25)11-10-22-8-4-3-5-9-22/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-1-oxo-2-(2-piperidin-1-ylethyl)-3H-isoindole-5-carboxamide is sourced from PubChem (CID 95894023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).