N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide

C14H24N2O — CID 113477454

IUPACN-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
SMILESC#CCC(CC)NC(=O)CCC1CCCCN1
InChIInChI=1S/C14H24N2O/c1-3-7-12(4-2)16-14(17)10-9-13-8-5-6-11-15-13/h1,12-13,15H,4-11H2,2H3,(H,16,17)
InChIKeyZIHGCKKINICNBW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds6

About N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide

N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide (PubChem CID 113477454) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
PubChem CID113477454
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
SMILESC#CCC(CC)NC(=O)CCC1CCCCN1
InChIInChI=1S/C14H24N2O/c1-3-7-12(4-2)16-14(17)10-9-13-8-5-6-11-15-13/h1,12-13,15H,4-11H2,2H3,(H,16,17)
InChIKeyZIHGCKKINICNBW-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
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-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
N-(1-phenylpropyl)-3-piperidin-2-ylpropanamide
CID 62305915
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
N-(1-hydroxy-3-phenylpropan-2-yl)-3-piperidin-2-ylpropanamide
CID 63261362
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
CID 114010587
N-[2-(dimethylamino)-3-ethylpentyl]-3-piperidin-2-ylpropanamide
CID 62211126

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide (CID 113477454) is N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide is C#CCC(CC)NC(=O)CCC1CCCCN1.
What is the InChIKey of N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide?
The InChIKey is ZIHGCKKINICNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-7-12(4-2)16-14(17)10-9-13-8-5-6-11-15-13/h1,12-13,15H,4-11H2,2H3,(H,16,17).
What are the key properties of N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide?
N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide has a molecular weight of 236.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 113477454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).