(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide

C12H21N3O3 — CID 130235098

IUPAC(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide
SMILESCCN1C(=O)CCC[C@H]1C(=O)NO[C@H]1CCNC1
InChIInChI=1S/C12H21N3O3/c1-2-15-10(4-3-5-11(15)16)12(17)14-18-9-6-7-13-8-9/h9-10,13H,2-8H2,1H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyXUGHLXLYPWESDG-UWVGGRQHSA-N
MW255.32 g/mol
LogP-0.20
Rot. Bonds4

About (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide

(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide (PubChem CID 130235098) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide
PubChem CID130235098
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide
SMILESCCN1C(=O)CCC[C@H]1C(=O)NO[C@H]1CCNC1
InChIInChI=1S/C12H21N3O3/c1-2-15-10(4-3-5-11(15)16)12(17)14-18-9-6-7-13-8-9/h9-10,13H,2-8H2,1H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyXUGHLXLYPWESDG-UWVGGRQHSA-N
XLogP-0.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.20
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

(2S,5R)-6-methyl-7-oxo-N-[(3R)-pyrrolidin-3-yl]oxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 157223521
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
CID 129268188
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
[4-oxo-2-(pyrrolidin-3-yloxycarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 140680390
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25019699
1-ethyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 178099518
(5aR,9aR)-1-ethyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129322016
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 121208947
methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
[(4S)-3-ethyl-2-oxo-4-[[[(3R)-pyrrolidine-3-carbonyl]amino]carbamoyl]-1,3-diazinan-1-yl] hydrogen sulfate
CID 138718953

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide (CID 130235098) is (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide is CCN1C(=O)CCC[C@H]1C(=O)NO[C@H]1CCNC1.
What is the InChIKey of (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide?
The InChIKey is XUGHLXLYPWESDG-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-15-10(4-3-5-11(15)16)12(17)14-18-9-6-7-13-8-9/h9-10,13H,2-8H2,1H3,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide?
(2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-6-oxo-N-[(3S)-pyrrolidin-3-yl]oxypiperidine-2-carboxamide is sourced from PubChem (CID 130235098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).