methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate

C16H22N2O4 — CID 120625991

IUPACmethyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H22N2O4/c1-10-8-11(6-7-17-10)15(19)18-14-5-4-12(21-2)9-13(14)16(20)22-3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyRAOKWIKKRANDQG-QWRGUYRKSA-N
MW306.36 g/mol
LogP1.81
Rot. Bonds4

About methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate

methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate (PubChem CID 120625991) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
PubChem CID120625991
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H22N2O4/c1-10-8-11(6-7-17-10)15(19)18-14-5-4-12(21-2)9-13(14)16(20)22-3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyRAOKWIKKRANDQG-QWRGUYRKSA-N
XLogP1.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120621294
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate (CID 120625991) is methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate is COC(=O)c1cc(OC)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The InChIKey is RAOKWIKKRANDQG-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-8-11(6-7-17-10)15(19)18-14-5-4-12(21-2)9-13(14)16(20)22-3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 120625991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).