N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C12H19N3O4 — CID 112550543

IUPACN-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESNC(=O)CONC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H19N3O4/c13-10(16)7-19-14-11(17)9-2-1-5-15(6-9)12(18)8-3-4-8/h8-9H,1-7H2,(H2,13,16)(H,14,17)
InChIKeyRCWMCYCXHSZRQK-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.83
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 112550543) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID112550543
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESNC(=O)CONC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H19N3O4/c13-10(16)7-19-14-11(17)9-2-1-5-15(6-9)12(18)8-3-4-8/h8-9H,1-7H2,(H2,13,16)(H,14,17)
InChIKeyRCWMCYCXHSZRQK-UHFFFAOYSA-N
XLogP-0.83
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599731
(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 112550543) is N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is NC(=O)CONC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is RCWMCYCXHSZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c13-10(16)7-19-14-11(17)9-2-1-5-15(6-9)12(18)8-3-4-8/h8-9H,1-7H2,(H2,13,16)(H,14,17).
What are the key properties of N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 112550543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).