N-ethyl-N-piperidin-3-ylbut-2-ynamide

C11H18N2O — CID 107990351

IUPACN-ethyl-N-piperidin-3-ylbut-2-ynamide
SMILESCC#CC(=O)N(CC)C1CCCNC1
InChIInChI=1S/C11H18N2O/c1-3-6-11(14)13(4-2)10-7-5-8-12-9-10/h10,12H,4-5,7-9H2,1-2H3
InChIKeyGUMBKQVDTQJPEP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds2

About N-ethyl-N-piperidin-3-ylbut-2-ynamide

N-ethyl-N-piperidin-3-ylbut-2-ynamide (PubChem CID 107990351) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-ethyl-N-piperidin-3-ylbut-2-ynamide.

Molecular Properties

Compound NameN-ethyl-N-piperidin-3-ylbut-2-ynamide
PubChem CID107990351
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-ethyl-N-piperidin-3-ylbut-2-ynamide
SMILESCC#CC(=O)N(CC)C1CCCNC1
InChIInChI=1S/C11H18N2O/c1-3-6-11(14)13(4-2)10-7-5-8-12-9-10/h10,12H,4-5,7-9H2,1-2H3
InChIKeyGUMBKQVDTQJPEP-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-ethylbut-2-ynamide
CID 130634286
N-ethyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63637616
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
N-ethyl-4-methyl-N-piperidin-3-ylpiperidine-1-carboxamide
CID 79160027
2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358
2-(3-ethoxycyclobutyl)-N-ethyl-N-piperidin-3-ylacetamide
CID 103162261
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
N,2-diethyl-N-piperidin-3-ylhexanamide
CID 60807236
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-piperidin-3-ylbut-2-ynamide?
The IUPAC name of N-ethyl-N-piperidin-3-ylbut-2-ynamide (CID 107990351) is N-ethyl-N-piperidin-3-ylbut-2-ynamide.
What is the SMILES notation for N-ethyl-N-piperidin-3-ylbut-2-ynamide?
The canonical SMILES for N-ethyl-N-piperidin-3-ylbut-2-ynamide is CC#CC(=O)N(CC)C1CCCNC1.
What is the InChIKey of N-ethyl-N-piperidin-3-ylbut-2-ynamide?
The InChIKey is GUMBKQVDTQJPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-6-11(14)13(4-2)10-7-5-8-12-9-10/h10,12H,4-5,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-piperidin-3-ylbut-2-ynamide?
N-ethyl-N-piperidin-3-ylbut-2-ynamide has a molecular weight of 194.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-piperidin-3-ylbut-2-ynamide is sourced from PubChem (CID 107990351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).