methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate

C13H24N2O3 — CID 79163753

IUPACmethyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H24N2O3/c1-11-6-9-15(10-7-11)13(17)14(2)8-4-5-12(16)18-3/h11H,4-10H2,1-3H3
InChIKeyIXZHRKUKHGCFHT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.72
Rot. Bonds4

About methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate

methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate (PubChem CID 79163753) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
PubChem CID79163753
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C13H24N2O3/c1-11-6-9-15(10-7-11)13(17)14(2)8-4-5-12(16)18-3/h11H,4-10H2,1-3H3
InChIKeyIXZHRKUKHGCFHT-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
methyl 5-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]pentanoate
CID 111209842
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate (CID 79163753) is methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate?
The InChIKey is IXZHRKUKHGCFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-6-9-15(10-7-11)13(17)14(2)8-4-5-12(16)18-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate?
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate has a molecular weight of 256.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate is sourced from PubChem (CID 79163753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).