methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate

C12H22N2O3 — CID 73402042

IUPACmethyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H22N2O3/c1-9-6-10(2)8-14(7-9)12(16)13-5-4-11(15)17-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyGKPRLIDVJNNKTJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.24
Rot. Bonds3

About methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate

methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate (PubChem CID 73402042) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
PubChem CID73402042
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H22N2O3/c1-9-6-10(2)8-14(7-9)12(16)13-5-4-11(15)17-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyGKPRLIDVJNNKTJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
CID 165430514
1-[(7-methoxy-7-oxoheptyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122282
methyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoate
CID 94020551
methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
CID 165430524
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
CID 52539083
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577700
ethyl N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 94159427
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate (CID 73402042) is methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate is COC(=O)CCNC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate?
The InChIKey is GKPRLIDVJNNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-6-10(2)8-14(7-9)12(16)13-5-4-11(15)17-3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate?
methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 73402042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).