ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate

C14H26N2O3 — CID 115538067

IUPACethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCCC(=O)N(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)12-7-5-9-16(11-12)10-6-8-13(17)15(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyYOPCLXCXLIZBCT-GFCCVEGCSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds6

About ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate

ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate (PubChem CID 115538067) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
PubChem CID115538067
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCCC(=O)N(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)12-7-5-9-16(11-12)10-6-8-13(17)15(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyYOPCLXCXLIZBCT-GFCCVEGCSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(3-cyanopropyl)piperidine-3-carboxylate
CID 15598963
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl 1-(3-methylsulfonyloxypropyl)piperidine-3-carboxylate
CID 19261841
ethyl 1-(3-azidopropyl)piperidine-3-carboxylate
CID 61396117
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate (CID 115538067) is ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCCC(=O)N(C)C)C1.
What is the InChIKey of ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate?
The InChIKey is YOPCLXCXLIZBCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-14(18)12-7-5-9-16(11-12)10-6-8-13(17)15(2)3/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate?
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate is sourced from PubChem (CID 115538067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).