ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate

C12H22N2O3 — CID 22692245

IUPACethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)10-5-8-14(9-6-10)11(15)4-3-7-13/h10H,2-9,13H2,1H3
InChIKeyKUTHKMAYOPZCFO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds5

About ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate

ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate (PubChem CID 22692245) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
PubChem CID22692245
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)10-5-8-14(9-6-10)11(15)4-3-7-13/h10H,2-9,13H2,1H3
InChIKeyKUTHKMAYOPZCFO-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate (CID 22692245) is ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCCN)CC1.
What is the InChIKey of ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
The InChIKey is KUTHKMAYOPZCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-12(16)10-5-8-14(9-6-10)11(15)4-3-7-13/h10H,2-9,13H2,1H3.
What are the key properties of ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate?
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 22692245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).