N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide

C14H20N2O2 — CID 166418556

IUPACN-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H20N2O2/c1-2-5-13(17)15-12-8-4-9-16(10-12)14(18)11-6-3-7-11/h11-12H,3-4,6-10H2,1H3,(H,15,17)
InChIKeyRHIZFAUPHXYSKW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds2

About N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide

N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide (PubChem CID 166418556) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
PubChem CID166418556
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H20N2O2/c1-2-5-13(17)15-12-8-4-9-16(10-12)14(18)11-6-3-7-11/h11-12H,3-4,6-10H2,1H3,(H,15,17)
InChIKeyRHIZFAUPHXYSKW-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
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-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]but-2-ynamide
CID 146075822
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119722344
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide?
The IUPAC name of N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide (CID 166418556) is N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide?
The InChIKey is RHIZFAUPHXYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-5-13(17)15-12-8-4-9-16(10-12)14(18)11-6-3-7-11/h11-12H,3-4,6-10H2,1H3,(H,15,17).
What are the key properties of N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide?
N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutanecarbonyl)piperidin-3-yl]but-2-ynamide is sourced from PubChem (CID 166418556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).