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

C18H25N3O4 — CID 40740388

IUPACmethyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-13(21-10-8-15(9-11-21)17(23)25-2)16(22)20-18(24)19-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,19,20,22,24)/t13-/m0/s1
InChIKeyUFJYRAJUUNQDRD-ZDUSSCGKSA-N
MW347.42 g/mol
LogP1.29
Rot. Bonds5

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

methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 40740388) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID40740388
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namemethyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-13(21-10-8-15(9-11-21)17(23)25-2)16(22)20-18(24)19-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,19,20,22,24)/t13-/m0/s1
InChIKeyUFJYRAJUUNQDRD-ZDUSSCGKSA-N
XLogP1.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
(2S)-N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249441
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918549
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
methyl 1-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 41075173

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 40740388) is methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is UFJYRAJUUNQDRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(21-10-8-15(9-11-21)17(23)25-2)16(22)20-18(24)19-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,19,20,22,24)/t13-/m0/s1.
What are the key properties of methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 40740388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).