methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate

C15H26N2O4 — CID 78919240

IUPACmethyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(20)16-8-7-12(18)17-9-5-6-11(10-17)13(19)21-4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyHFJKIEDOBABLEC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.95
Rot. Bonds4

About methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate

methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate (PubChem CID 78919240) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
PubChem CID78919240
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)CCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(20)16-8-7-12(18)17-9-5-6-11(10-17)13(19)21-4/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyHFJKIEDOBABLEC-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119593332
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate (CID 78919240) is methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)CCNC(=O)C(C)(C)C)C1.
What is the InChIKey of methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate?
The InChIKey is HFJKIEDOBABLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)14(20)16-8-7-12(18)17-9-5-6-11(10-17)13(19)21-4/h11H,5-10H2,1-4H3,(H,16,20).
What are the key properties of methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate?
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).