[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

C19H22ClN3O5 — CID 8887423

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H22ClN3O5/c1-12(16(24)23-11-8-21-19(23)27)28-18(26)14-6-9-22(10-7-14)17(25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,27)/t12-/m1/s1
InChIKeySNQOQQKOZYTFDS-GFCCVEGCSA-N
MW407.85 g/mol
LogP1.68
Rot. Bonds4

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 8887423) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID8887423
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESC[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCNC1=O
InChIInChI=1S/C19H22ClN3O5/c1-12(16(24)23-11-8-21-19(23)27)28-18(26)14-6-9-22(10-7-14)17(25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,27)/t12-/m1/s1
InChIKeySNQOQQKOZYTFDS-GFCCVEGCSA-N
XLogP1.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 42903277
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 46672158
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 43026297
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 55422765
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 8923429
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 8887423) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is SNQOQQKOZYTFDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c1-12(16(24)23-11-8-21-19(23)27)28-18(26)14-6-9-22(10-7-14)17(25)13-2-4-15(20)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,21,27)/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 407.85 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 8887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).