methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate

C18H25N3O4 — CID 120620844

IUPACmethyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C18H25N3O4/c1-12-9-14(7-8-19-12)18(24)21-15-5-3-13(4-6-15)10-16(22)20-11-17(23)25-2/h3-6,12,14,19H,7-11H2,1-2H3,(H,20,22)(H,21,24)/t12-,14-/m0/s1
InChIKeyQDQZSUUXDMUWKS-JSGCOSHPSA-N
MW347.42 g/mol
LogP0.84
Rot. Bonds6

About methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 120620844) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID120620844
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namemethyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C18H25N3O4/c1-12-9-14(7-8-19-12)18(24)21-15-5-3-13(4-6-15)10-16(22)20-11-17(23)25-2/h3-6,12,14,19H,7-11H2,1-2H3,(H,20,22)(H,21,24)/t12-,14-/m0/s1
InChIKeyQDQZSUUXDMUWKS-JSGCOSHPSA-N
XLogP0.84
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884
(2S,4S)-N-[4-(cyclopentyloxymethyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634548
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 120620844) is methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is QDQZSUUXDMUWKS-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-9-14(7-8-19-12)18(24)21-15-5-3-13(4-6-15)10-16(22)20-11-17(23)25-2/h3-6,12,14,19H,7-11H2,1-2H3,(H,20,22)(H,21,24)/t12-,14-/m0/s1.
What are the key properties of methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 347.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 120620844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).