methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate

C18H24ClN3O5 — CID 95171477

IUPACmethyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H](NC(=O)NC1CCN(C(=O)OC)CC1)c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O5/c1-26-16(23)11-15(13-5-3-4-6-14(13)19)21-17(24)20-12-7-9-22(10-8-12)18(25)27-2/h3-6,12,15H,7-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyNZBAVCKLEJIVIA-OAHLLOKOSA-N
MW397.86 g/mol
LogP2.47
Rot. Bonds5

About methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate

methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 95171477) has the molecular formula C18H24ClN3O5 and a molecular weight of 397.86 g/mol. Its IUPAC name is methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID95171477
Molecular FormulaC18H24ClN3O5
Molecular Weight397.86 g/mol
Exact Mass397.14
IUPAC Namemethyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)C[C@@H](NC(=O)NC1CCN(C(=O)OC)CC1)c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O5/c1-26-16(23)11-15(13-5-3-4-6-14(13)19)21-17(24)20-12-7-9-22(10-8-12)18(25)27-2/h3-6,12,15H,7-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyNZBAVCKLEJIVIA-OAHLLOKOSA-N
XLogP2.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
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CID 38590811
methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoate
CID 38591349
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
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methyl 3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanoate
CID 55440619
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757862
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
methyl 3-(2-chlorophenyl)-3-(5-methoxypentanoylamino)propanoate
CID 86871718
methyl (3S)-3-(2-chlorophenyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoate
CID 94017890
methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
CID 134006769
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate (CID 95171477) is methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate is COC(=O)C[C@@H](NC(=O)NC1CCN(C(=O)OC)CC1)c1ccccc1Cl.
What is the InChIKey of methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is NZBAVCKLEJIVIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24ClN3O5/c1-26-16(23)11-15(13-5-3-4-6-14(13)19)21-17(24)20-12-7-9-22(10-8-12)18(25)27-2/h3-6,12,15H,7-11H2,1-2H3,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate?
methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 397.86 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1R)-1-(2-chlorophenyl)-3-methoxy-3-oxopropyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 95171477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).