cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate

C20H28N2O3 — CID 124743453

IUPACcis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)16-11-8-12-17(16)21-18(15-9-4-2-5-10-15)19(23)22-13-6-3-7-14-22/h2,4-5,9-10,16-18,21H,3,6-8,11-14H2,1H3/t16-,17+,18+/m1/s1
InChIKeyYWKNDNUGXXZTEV-SQNIBIBYSA-N
MW344.45 g/mol
LogP2.67
Rot. Bonds5

About cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate

cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate (PubChem CID 124743453) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate
PubChem CID124743453
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namecis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)16-11-8-12-17(16)21-18(15-9-4-2-5-10-15)19(23)22-13-6-3-7-14-22/h2,4-5,9-10,16-18,21H,3,6-8,11-14H2,1H3/t16-,17+,18+/m1/s1
InChIKeyYWKNDNUGXXZTEV-SQNIBIBYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
CID 79161746
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide
CID 102560947
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate (CID 124743453) is cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate?
The InChIKey is YWKNDNUGXXZTEV-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-20(24)16-11-8-12-17(16)21-18(15-9-4-2-5-10-15)19(23)22-13-6-3-7-14-22/h2,4-5,9-10,16-18,21H,3,6-8,11-14H2,1H3/t16-,17+,18+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate?
cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 124743453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).