methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate

C15H19ClN2O3 — CID 95923491

IUPACmethyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-18-7-3-4-10(9-18)14(19)17-11-5-6-13(16)12(8-11)15(20)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyDPZNNRLIBSGZJQ-SNVBAGLBSA-N
MW310.78 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate

methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate (PubChem CID 95923491) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
PubChem CID95923491
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-18-7-3-4-10(9-18)14(19)17-11-5-6-13(16)12(8-11)15(20)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyDPZNNRLIBSGZJQ-SNVBAGLBSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
methyl 4-chloro-3-[(1-methylpiperidine-3-carbonyl)amino]benzoate
CID 110861816
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
CID 131939950
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate (CID 95923491) is methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The InChIKey is DPZNNRLIBSGZJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-18-7-3-4-10(9-18)14(19)17-11-5-6-13(16)12(8-11)15(20)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate has a molecular weight of 310.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 95923491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).