trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate

C23H32N2O6 — CID 96508175

IUPACtrans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCCOc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H32N2O6/c1-3-30-20-14-16(22(27)24-18-9-7-8-17(18)23(28)29-2)10-11-19(20)31-15-21(26)25-12-5-4-6-13-25/h10-11,14,17-18H,3-9,12-13,15H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeySYMOHWGCVKWTJE-QZTJIDSGSA-N
MW432.52 g/mol
LogP2.55
Rot. Bonds8

About trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate

trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 96508175) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID96508175
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Nametrans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCCOc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H32N2O6/c1-3-30-20-14-16(22(27)24-18-9-7-8-17(18)23(28)29-2)10-11-19(20)31-15-21(26)25-12-5-4-6-13-25/h10-11,14,17-18H,3-9,12-13,15H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChIKeySYMOHWGCVKWTJE-QZTJIDSGSA-N
XLogP2.55
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
2-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 119483987
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
CID 55726487
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate (CID 96508175) is trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate is CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is SYMOHWGCVKWTJE-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-3-30-20-14-16(22(27)24-18-9-7-8-17(18)23(28)29-2)10-11-19(20)31-15-21(26)25-12-5-4-6-13-25/h10-11,14,17-18H,3-9,12-13,15H2,1-2H3,(H,24,27)/t17-,18-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate?
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 96508175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).