methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate

C15H28N2O3 — CID 115536975

IUPACmethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCCCCNC(=O)C(C)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-4-5-7-10-16-14(18)12(2)17-11-8-6-9-13(17)15(19)20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyNHPLOSBXHXJJRC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate

methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate (PubChem CID 115536975) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
PubChem CID115536975
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCCCCNC(=O)C(C)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-4-5-7-10-16-14(18)12(2)17-11-8-6-9-13(17)15(19)20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyNHPLOSBXHXJJRC-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate (CID 115536975) is methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate is CCCCCNC(=O)C(C)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate?
The InChIKey is NHPLOSBXHXJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-7-10-16-14(18)12(2)17-11-8-6-9-13(17)15(19)20-3/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate?
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 115536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).