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

C34H42N4O4 — CID 167186220

IUPAC(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC(C)[C@H]1CCc2nc3ccc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(N5CCOC5=O)cc4)cc3cc2C1
InChIInChI=1S/C34H42N4O4/c1-22(2)24-5-9-30-26(19-24)21-27-20-25(6-10-31(27)35-30)33(40)36-32(13-16-37-14-11-29(39)12-15-37)23-3-7-28(8-4-23)38-17-18-42-34(38)41/h3-4,6-8,10,20-22,24,29,32,39H,5,9,11-19H2,1-2H3,(H,36,40)/t24-,32+/m0/s1
InChIKeyRRWHGYFYNFDYCN-NRUKRWIHSA-N
MW570.73 g/mol
LogP5.27
Rot. Bonds8

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

(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 167186220) has the molecular formula C34H42N4O4 and a molecular weight of 570.73 g/mol. Its IUPAC name is (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID167186220
Molecular FormulaC34H42N4O4
Molecular Weight570.73 g/mol
Exact Mass570.32
IUPAC Name(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC(C)[C@H]1CCc2nc3ccc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(N5CCOC5=O)cc4)cc3cc2C1
InChIInChI=1S/C34H42N4O4/c1-22(2)24-5-9-30-26(19-24)21-27-20-25(6-10-31(27)35-30)33(40)36-32(13-16-37-14-11-29(39)12-15-37)23-3-7-28(8-4-23)38-17-18-42-34(38)41/h3-4,6-8,10,20-22,24,29,32,39H,5,9,11-19H2,1-2H3,(H,36,40)/t24-,32+/m0/s1
InChIKeyRRWHGYFYNFDYCN-NRUKRWIHSA-N
XLogP5.27
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
(7S)-7-tert-butyl-N-[3-(4-hydroxypiperidin-1-yl)-1-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155321083
[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl] carbamate
CID 177296654
methyl 2-[1-[3-[3-[(1-methylazetidin-3-yl)carbamoyl]phenyl]-3-[[7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carbonyl]amino]propyl]piperidin-4-yl]acetate
CID 171773235
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155331858
4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55686568
(7S)-7-tert-butyl-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155320323
(7S)-7-tert-butyl-N-[3-(4-hydroxypiperidin-1-yl)-1-[3-(piperidin-3-ylcarbamoyl)phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155320577
(7S)-7-tert-butyl-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[3-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155320453
(7S)-7-tert-butyl-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]phenyl]propyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155320832
(7S)-N-[1-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl]phenyl]-3-(4-hydroxypiperidin-1-yl)propyl]-7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxamide
CID 155320449
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 94029882

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 167186220) is (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide is CC(C)[C@H]1CCc2nc3ccc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(N5CCOC5=O)cc4)cc3cc2C1.
What is the InChIKey of (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is RRWHGYFYNFDYCN-NRUKRWIHSA-N. The full InChI is InChI=1S/C34H42N4O4/c1-22(2)24-5-9-30-26(19-24)21-27-20-25(6-10-31(27)35-30)33(40)36-32(13-16-37-14-11-29(39)12-15-37)23-3-7-28(8-4-23)38-17-18-42-34(38)41/h3-4,6-8,10,20-22,24,29,32,39H,5,9,11-19H2,1-2H3,(H,36,40)/t24-,32+/m0/s1.
What are the key properties of (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 570.73 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 167186220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).