N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide

C15H24N2O — CID 71792542

IUPACN-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
SMILESO=C(NCC#CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C15H24N2O/c18-15(14-8-2-1-3-9-14)16-10-4-5-11-17-12-6-7-13-17/h14H,1-3,6-13H2,(H,16,18)
InChIKeyBOXUHNKKTVQTEY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds3

About N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide

N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide (PubChem CID 71792542) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
PubChem CID71792542
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
SMILESO=C(NCC#CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C15H24N2O/c18-15(14-8-2-1-3-9-14)16-10-4-5-11-17-12-6-7-13-17/h14H,1-3,6-13H2,(H,16,18)
InChIKeyBOXUHNKKTVQTEY-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
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-(azetidin-1-ylmethyl)cycloheptanecarboxamide
CID 134274254
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
N-propylcyclooctanecarboxamide
CID 65022755
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
1-acetyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-ynyl]piperidine-4-carboxamide
CID 71792776
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide (CID 71792542) is N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide is O=C(NCC#CCN1CCCC1)C1CCCCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide?
The InChIKey is BOXUHNKKTVQTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(14-8-2-1-3-9-14)16-10-4-5-11-17-12-6-7-13-17/h14H,1-3,6-13H2,(H,16,18).
What are the key properties of N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide?
N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide has a molecular weight of 248.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide is sourced from PubChem (CID 71792542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).