methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate

C19H28N2O3 — CID 8742230

IUPACmethyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)20-18(22)14-21-12-10-17(11-13-21)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyKAOVWSDIPXVFTG-HNNXBMFYSA-N
MW332.44 g/mol
LogP2.01
Rot. Bonds7

About methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate (PubChem CID 8742230) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
PubChem CID8742230
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)20-18(22)14-21-12-10-17(11-13-21)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyKAOVWSDIPXVFTG-HNNXBMFYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 42914018
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
methyl 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8754615
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate (CID 8742230) is methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate?
The InChIKey is KAOVWSDIPXVFTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(8-9-16-6-4-3-5-7-16)20-18(22)14-21-12-10-17(11-13-21)19(23)24-2/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8742230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).