methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate

C14H26N2O3 — CID 83994391

IUPACmethyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CC(NCC(C)C)CC(C(=O)OC)C1
InChIInChI=1S/C14H26N2O3/c1-5-13(17)16-8-11(14(18)19-4)6-12(9-16)15-7-10(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyUVADPQXIRRXKDC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds5

About methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate

methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate (PubChem CID 83994391) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
PubChem CID83994391
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CC(NCC(C)C)CC(C(=O)OC)C1
InChIInChI=1S/C14H26N2O3/c1-5-13(17)16-8-11(14(18)19-4)6-12(9-16)15-7-10(2)3/h10-12,15H,5-9H2,1-4H3
InChIKeyUVADPQXIRRXKDC-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
CID 143455372
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate (CID 83994391) is methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CC(NCC(C)C)CC(C(=O)OC)C1.
What is the InChIKey of methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate?
The InChIKey is UVADPQXIRRXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-13(17)16-8-11(14(18)19-4)6-12(9-16)15-7-10(2)3/h10-12,15H,5-9H2,1-4H3.
What are the key properties of methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate?
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 83994391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).