methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate

C14H24N2O4 — CID 60527593

IUPACmethyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
SMILESCCCC(=O)N1CCCC(C(=O)NCCC(=O)OC)C1
InChIInChI=1S/C14H24N2O4/c1-3-5-12(17)16-9-4-6-11(10-16)14(19)15-8-7-13(18)20-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyXBITZTUPYSXEKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.70
Rot. Bonds6

About methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate

methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate (PubChem CID 60527593) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
PubChem CID60527593
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
SMILESCCCC(=O)N1CCCC(C(=O)NCCC(=O)OC)C1
InChIInChI=1S/C14H24N2O4/c1-3-5-12(17)16-9-4-6-11(10-16)14(19)15-8-7-13(18)20-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyXBITZTUPYSXEKP-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate
CID 70180329
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate (CID 60527593) is methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate is CCCC(=O)N1CCCC(C(=O)NCCC(=O)OC)C1.
What is the InChIKey of methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate?
The InChIKey is XBITZTUPYSXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-5-12(17)16-9-4-6-11(10-16)14(19)15-8-7-13(18)20-2/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate?
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate has a molecular weight of 284.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 60527593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).