methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate

C15H28N2O3 — CID 83199461

IUPACmethyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-5-9-17(11-13(18)20-4)14(19)15(2,3)12-7-6-8-16-10-12/h12,16H,5-11H2,1-4H3
InChIKeyVMVPVOOABBBZQL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds6

About methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate

methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate (PubChem CID 83199461) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
PubChem CID83199461
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-5-9-17(11-13(18)20-4)14(19)15(2,3)12-7-6-8-16-10-12/h12,16H,5-11H2,1-4H3
InChIKeyVMVPVOOABBBZQL-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-2-piperidin-3-yl-N-propylpropanamide
CID 83198718
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83200341
2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334
N-(2-hydroxy-3-methoxypropyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83200036
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate (CID 83199461) is methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate?
The InChIKey is VMVPVOOABBBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-9-17(11-13(18)20-4)14(19)15(2,3)12-7-6-8-16-10-12/h12,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate?
methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-2-piperidin-3-ylpropanoyl)-propylamino]acetate is sourced from PubChem (CID 83199461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).