(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide

C11H21N3O2 — CID 59900096

IUPAC(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
SMILESC=C(C)NOCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H21N3O2/c1-9(2)14-16-8-7-13-11(15)10-5-3-4-6-12-10/h10,12,14H,1,3-8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyOMVMMPPIQMTDCM-JTQLQIEISA-N
MW227.31 g/mol
LogP0.30
Rot. Bonds6

About (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide

(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide (PubChem CID 59900096) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
PubChem CID59900096
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide
SMILESC=C(C)NOCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H21N3O2/c1-9(2)14-16-8-7-13-11(15)10-5-3-4-6-12-10/h10,12,14H,1,3-8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyOMVMMPPIQMTDCM-JTQLQIEISA-N
XLogP0.30
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072714
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900107
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110
1-Morpholin-4-yl-2-(prop-1-en-2-ylamino)octan-1-one
CID 68097004
(2S)-1-ethyl-N-[2-(methylamino)ethoxy]-6-oxopiperidine-2-carboxamide
CID 146366554
(2R)-N-[(E)-1-(methylamino)prop-1-en-2-yl]piperidine-2-carboxamide
CID 156560931
2-[(3S)-3-amino-2-oxopiperidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
CID 157480889
2-(3-amino-2-oxopiperidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400525
N-methoxy-N-methyl-2-methylidene-5,8,11-trioxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-6-carboxamide
CID 142041874
7-Hydroxy-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041929
(9S)-9-methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041946
7-Methyl-2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
CID 142041977

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide (CID 59900096) is (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide is C=C(C)NOCCNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide?
The InChIKey is OMVMMPPIQMTDCM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(2)14-16-8-7-13-11(15)10-5-3-4-6-12-10/h10,12,14H,1,3-8H2,2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide?
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]piperidine-2-carboxamide is sourced from PubChem (CID 59900096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).