N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide

C10H17N3O2 — CID 59958588

IUPACN-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
SMILESC=C(N)N1CCC[C@H](NC(=O)CC)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-9(14)12-8-5-4-6-13(7(2)11)10(8)15/h8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyNTLKWDQZYKWOQV-QMMMGPOBSA-N
MW211.26 g/mol
LogP-0.07
Rot. Bonds3

About N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide

N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide (PubChem CID 59958588) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
PubChem CID59958588
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
SMILESC=C(N)N1CCC[C@H](NC(=O)CC)C1=O
InChIInChI=1S/C10H17N3O2/c1-3-9(14)12-8-5-4-6-13(7(2)11)10(8)15/h8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyNTLKWDQZYKWOQV-QMMMGPOBSA-N
XLogP-0.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide
CID 164634771
1-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 59006503
1-methyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 59006571
tert-butyl N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]carbamate
CID 59958608
(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one
CID 59958609
(2-Oxopiperidin-3-yl)urea
CID 62093454
3-(Ethylamino)-1-methylpiperidin-2-one
CID 64246577
1-Methyl-3-(propan-2-ylamino)piperidin-2-one
CID 64246765
1-Butyl-3-(propylamino)piperidin-2-one
CID 64247373
N-ethyl-2-(2-oxopiperidin-1-yl)propanamide
CID 68574451
2-[2-(Dimethylamino)ethyl]piperazine-1,3-dicarboxamide
CID 69514032
2-[2-(Diethylamino)ethyl]piperazine-1,3-dicarboxamide
CID 69697985

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide (CID 59958588) is N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide is C=C(N)N1CCC[C@H](NC(=O)CC)C1=O.
What is the InChIKey of N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is NTLKWDQZYKWOQV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-9(14)12-8-5-4-6-13(7(2)11)10(8)15/h8H,2-6,11H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide?
N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 211.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 59958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).