(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide

C11H18N2O — CID 106230318

IUPAC(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
SMILESC#CC(CC)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)13-11(14)9-6-5-7-12-8-9/h1,9-10,12H,4-8H2,2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyCEHUBNXYNKBKLM-YHMJZVADSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds3

About (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide

(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide (PubChem CID 106230318) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
PubChem CID106230318
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
SMILESC#CC(CC)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)13-11(14)9-6-5-7-12-8-9/h1,9-10,12H,4-8H2,2H3,(H,13,14)/t9-,10?/m1/s1
InChIKeyCEHUBNXYNKBKLM-YHMJZVADSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245

Frequently Asked Questions

What is the IUPAC name of (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide (CID 106230318) is (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide is C#CC(CC)NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide?
The InChIKey is CEHUBNXYNKBKLM-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(4-2)13-11(14)9-6-5-7-12-8-9/h1,9-10,12H,4-8H2,2H3,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide?
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 106230318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).