N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide

C16H28N2O2 — CID 51078015

IUPACN-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-6-17(10-12(2)3)16(20)14-8-7-9-18(11-14)15(19)13(4)5/h13-14H,2,6-11H2,1,3-5H3
InChIKeyKWMYOVBJARIJIS-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.31
Rot. Bonds5

About N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide

N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide (PubChem CID 51078015) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
PubChem CID51078015
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-6-17(10-12(2)3)16(20)14-8-7-9-18(11-14)15(19)13(4)5/h13-14H,2,6-11H2,1,3-5H3
InChIKeyKWMYOVBJARIJIS-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-1-methylpiperidine-3-carboxamide
CID 18785
Cambridge id 6578834
CID 762851
N,N,N'-Triethylnipecotamide
CID 574446
N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998426
1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86840347
(3R)-N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574246
(3S)-N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574247
N-allyl-1-[2-(dimethylamino)ethyl]-6-oxo-N-2-propyn-1-yl-3-piperidinecarboxamide
CID 45173141
1'-(cyclopropylcarbonyl)-N-ethyl-N-(2-methyl-2-propen-1-yl)-1,4'-bipiperidine-3-carboxamide
CID 45222385
N-(cyclopropylmethyl)-1-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 53520557
N,N-dibutyl-1-methylpiperidine-3-carboxamide
CID 13300485
1-acetyl-N,N-diethylpiperidine-3-carboxamide
CID 23402915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide (CID 51078015) is N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide is C=C(C)CN(CC)C(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
The InChIKey is KWMYOVBJARIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-17(10-12(2)3)16(20)14-8-7-9-18(11-14)15(19)13(4)5/h13-14H,2,6-11H2,1,3-5H3.
What are the key properties of N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide?
N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropanoyl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 51078015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).