ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride

C12H23ClN2O3 — CID 119290922

IUPACethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10;/h10,13H,2-9H2,1H3,(H,14,16);1H
InChIKeyIEMBWNXTQZPECR-UHFFFAOYSA-N
MW278.78 g/mol
LogP1.01
Rot. Bonds6

About ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride

ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride (PubChem CID 119290922) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
PubChem CID119290922
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Nameethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10;/h10,13H,2-9H2,1H3,(H,14,16);1H
InChIKeyIEMBWNXTQZPECR-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride (CID 119290922) is ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride is CCOC(=O)CCCNC(=O)C1CCCCN1.Cl.
What is the InChIKey of ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The InChIKey is IEMBWNXTQZPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-2-17-11(15)7-5-9-14-12(16)10-6-3-4-8-13-10;/h10,13H,2-9H2,1H3,(H,14,16);1H.
What are the key properties of ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride?
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride is sourced from PubChem (CID 119290922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).