ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride

C18H26ClN3O4 — CID 119336769

IUPACethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride
SMILESCCOC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-3-25-18(24)12(2)20-16(22)13-7-9-14(10-8-13)21-17(23)15-6-4-5-11-19-15;/h7-10,12,15,19H,3-6,11H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyKCXCIFZIPHKWDW-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.87
Rot. Bonds6

About ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride

ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride (PubChem CID 119336769) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride
PubChem CID119336769
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Nameethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride
SMILESCCOC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-3-25-18(24)12(2)20-16(22)13-7-9-14(10-8-13)21-17(23)15-6-4-5-11-19-15;/h7-10,12,15,19H,3-6,11H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyKCXCIFZIPHKWDW-UHFFFAOYSA-N
XLogP1.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703073
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride?
The IUPAC name of ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride (CID 119336769) is ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride?
The canonical SMILES for ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride is CCOC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride?
The InChIKey is KCXCIFZIPHKWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-3-25-18(24)12(2)20-16(22)13-7-9-14(10-8-13)21-17(23)15-6-4-5-11-19-15;/h7-10,12,15,19H,3-6,11H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride?
ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(piperidine-2-carbonylamino)benzoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 119336769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).