(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide

C35H42N4O4 — CID 155319902

IUPAC(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC1([C@H]2CCc3nc4ccc(C(=O)NCC[C@H](c5ccc(N6CCOC6=O)cc5)N5CCC(O)CC5)cc4cc3C2)CC1
InChIInChI=1S/C35H42N4O4/c1-35(13-14-35)27-5-9-31-26(22-27)21-25-20-24(4-8-30(25)37-31)33(41)36-15-10-32(38-16-11-29(40)12-17-38)23-2-6-28(7-3-23)39-18-19-43-34(39)42/h2-4,6-8,20-21,27,29,32,40H,5,9-19,22H2,1H3,(H,36,41)/t27-,32+/m0/s1
InChIKeyXVCQCUIKFRVYJG-QVWWMRLHSA-N
MW582.75 g/mol
LogP5.41
Rot. Bonds8

About (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide

(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 155319902) has the molecular formula C35H42N4O4 and a molecular weight of 582.75 g/mol. Its IUPAC name is (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID155319902
Molecular FormulaC35H42N4O4
Molecular Weight582.75 g/mol
Exact Mass582.32
IUPAC Name(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC1([C@H]2CCc3nc4ccc(C(=O)NCC[C@H](c5ccc(N6CCOC6=O)cc5)N5CCC(O)CC5)cc4cc3C2)CC1
InChIInChI=1S/C35H42N4O4/c1-35(13-14-35)27-5-9-31-26(22-27)21-25-20-24(4-8-30(25)37-31)33(41)36-15-10-32(38-16-11-29(40)12-17-38)23-2-6-28(7-3-23)39-18-19-43-34(39)42/h2-4,6-8,20-21,27,29,32,40H,5,9-19,22H2,1H3,(H,36,41)/t27-,32+/m0/s1
InChIKeyXVCQCUIKFRVYJG-QVWWMRLHSA-N
XLogP5.41
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 155319902) is (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide is CC1([C@H]2CCc3nc4ccc(C(=O)NCC[C@H](c5ccc(N6CCOC6=O)cc5)N5CCC(O)CC5)cc4cc3C2)CC1.
What is the InChIKey of (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is XVCQCUIKFRVYJG-QVWWMRLHSA-N. The full InChI is InChI=1S/C35H42N4O4/c1-35(13-14-35)27-5-9-31-26(22-27)21-25-20-24(4-8-30(25)37-31)33(41)36-15-10-32(38-16-11-29(40)12-17-38)23-2-6-28(7-3-23)39-18-19-43-34(39)42/h2-4,6-8,20-21,27,29,32,40H,5,9-19,22H2,1H3,(H,36,41)/t27-,32+/m0/s1.
What are the key properties of (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide?
(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 582.75 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 155319902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).