methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate

C15H28N2O3 — CID 115537485

IUPACmethyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
SMILESCCN(CC)C(=O)CCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H28N2O3/c1-4-17(5-2)14(18)9-7-11-16-10-6-8-13(12-16)15(19)20-3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyOWGJIOFABUGXKK-ZDUSSCGKSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds7

About methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate

methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate (PubChem CID 115537485) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
PubChem CID115537485
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
SMILESCCN(CC)C(=O)CCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H28N2O3/c1-4-17(5-2)14(18)9-7-11-16-10-6-8-13(12-16)15(19)20-3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyOWGJIOFABUGXKK-ZDUSSCGKSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
N,N-diethyl-4-[3-(2-hydroxyethyl)piperidin-1-yl]butanamide
CID 62356650
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate (CID 115537485) is methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate is CCN(CC)C(=O)CCCN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The InChIKey is OWGJIOFABUGXKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(5-2)14(18)9-7-11-16-10-6-8-13(12-16)15(19)20-3/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate?
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate is sourced from PubChem (CID 115537485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).