methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate

C15H24N2O3 — CID 79037821

IUPACmethyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H24N2O3/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15(19)20-3/h4-5,13H,1-2,6-12H2,3H3/t13-/m0/s1
InChIKeyKPLLSTRWQIPNIK-ZDUSSCGKSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds7

About methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate

methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 79037821) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID79037821
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H24N2O3/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15(19)20-3/h4-5,13H,1-2,6-12H2,3H3/t13-/m0/s1
InChIKeyKPLLSTRWQIPNIK-ZDUSSCGKSA-N
XLogP1.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 124749240

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate (CID 79037821) is methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate is C=CCN(CC=C)C(=O)CN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is KPLLSTRWQIPNIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15(19)20-3/h4-5,13H,1-2,6-12H2,3H3/t13-/m0/s1.
What are the key properties of methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate?
methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 79037821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).