methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate

C15H28N2O3 — CID 115536916

IUPACmethyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
SMILESCCN(CC)C(=O)CCCN1CCCCC1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-4-16(5-2)14(18)10-8-12-17-11-7-6-9-13(17)15(19)20-3/h13H,4-12H2,1-3H3
InChIKeyUFCGJJLUGQHOKK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.66
Rot. Bonds7

About methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate

methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate (PubChem CID 115536916) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
PubChem CID115536916
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
SMILESCCN(CC)C(=O)CCCN1CCCCC1C(=O)OC
InChIInChI=1S/C15H28N2O3/c1-4-16(5-2)14(18)10-8-12-17-11-7-6-9-13(17)15(19)20-3/h13H,4-12H2,1-3H3
InChIKeyUFCGJJLUGQHOKK-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate (CID 115536916) is methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate is CCN(CC)C(=O)CCCN1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate?
The InChIKey is UFCGJJLUGQHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-16(5-2)14(18)10-8-12-17-11-7-6-9-13(17)15(19)20-3/h13H,4-12H2,1-3H3.
What are the key properties of methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate?
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate is sourced from PubChem (CID 115536916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).