methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C17H24N2O4 — CID 8741714

IUPACmethyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-12(19-9-7-13(8-10-19)17(21)23-3)16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyWUPSLVGSQIUQBW-LBPRGKRZSA-N
MW320.39 g/mol
LogP1.91
Rot. Bonds5

About methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate

methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 8741714) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID8741714
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-12(19-9-7-13(8-10-19)17(21)23-3)16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyWUPSLVGSQIUQBW-LBPRGKRZSA-N
XLogP1.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 43054461
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 8741714) is methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is WUPSLVGSQIUQBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(19-9-7-13(8-10-19)17(21)23-3)16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 8741714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).