N-hex-1-yn-3-ylpiperidine-3-carboxamide

C12H20N2O — CID 106230711

IUPACN-hex-1-yn-3-ylpiperidine-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N2O/c1-3-6-11(4-2)14-12(15)10-7-5-8-13-9-10/h2,10-11,13H,3,5-9H2,1H3,(H,14,15)
InChIKeyRCWBCULLGHOUNM-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds4

About N-hex-1-yn-3-ylpiperidine-3-carboxamide

N-hex-1-yn-3-ylpiperidine-3-carboxamide (PubChem CID 106230711) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-hex-1-yn-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-ylpiperidine-3-carboxamide
PubChem CID106230711
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-hex-1-yn-3-ylpiperidine-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N2O/c1-3-6-11(4-2)14-12(15)10-7-5-8-13-9-10/h2,10-11,13H,3,5-9H2,1H3,(H,14,15)
InChIKeyRCWBCULLGHOUNM-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
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

(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-propylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 166001356
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
CID 104869071
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylpiperidine-3-carboxamide?
The IUPAC name of N-hex-1-yn-3-ylpiperidine-3-carboxamide (CID 106230711) is N-hex-1-yn-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-ylpiperidine-3-carboxamide?
The canonical SMILES for N-hex-1-yn-3-ylpiperidine-3-carboxamide is C#CC(CCC)NC(=O)C1CCCNC1.
What is the InChIKey of N-hex-1-yn-3-ylpiperidine-3-carboxamide?
The InChIKey is RCWBCULLGHOUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-11(4-2)14-12(15)10-7-5-8-13-9-10/h2,10-11,13H,3,5-9H2,1H3,(H,14,15).
What are the key properties of N-hex-1-yn-3-ylpiperidine-3-carboxamide?
N-hex-1-yn-3-ylpiperidine-3-carboxamide has a molecular weight of 208.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 106230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).