acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate

C16H28N2O4 — CID 91021061

IUPACacetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESC#C.CON(C)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4.C2H2/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)10-12(17)15(4)19-5;1-2/h11H,6-10H2,1-5H3;1-2H
InChIKeyPPDWQKTXBHMRMA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.29
Rot. Bonds3

About acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate

acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 91021061) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameacetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID91021061
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nameacetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESC#C.CON(C)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4.C2H2/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)10-12(17)15(4)19-5;1-2/h11H,6-10H2,1-5H3;1-2H
InChIKeyPPDWQKTXBHMRMA-UHFFFAOYSA-N
XLogP2.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103838891
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103730102
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
CID 111063022
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 59780681
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772

Frequently Asked Questions

What is the IUPAC name of acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate (CID 91021061) is acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate is C#C.CON(C)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is PPDWQKTXBHMRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4.C2H2/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)10-12(17)15(4)19-5;1-2/h11H,6-10H2,1-5H3;1-2H.
What are the key properties of acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate?
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 91021061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).