1-(1-pent-3-ynylpiperidin-2-yl)ethanone

C12H19NO — CID 104807764

IUPAC1-(1-pent-3-ynylpiperidin-2-yl)ethanone
SMILESCC#CCCN1CCCCC1C(C)=O
InChIInChI=1S/C12H19NO/c1-3-4-6-9-13-10-7-5-8-12(13)11(2)14/h12H,5-10H2,1-2H3
InChIKeyOOMQEBVZDQSDRL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds3

About 1-(1-pent-3-ynylpiperidin-2-yl)ethanone

1-(1-pent-3-ynylpiperidin-2-yl)ethanone (PubChem CID 104807764) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1-pent-3-ynylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-pent-3-ynylpiperidin-2-yl)ethanone
PubChem CID104807764
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1-pent-3-ynylpiperidin-2-yl)ethanone
SMILESCC#CCCN1CCCCC1C(C)=O
InChIInChI=1S/C12H19NO/c1-3-4-6-9-13-10-7-5-8-12(13)11(2)14/h12H,5-10H2,1-2H3
InChIKeyOOMQEBVZDQSDRL-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol
CID 130709560
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
CID 115513976
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
1-but-3-ynyl-N-methylpiperidine-2-carboxamide
CID 63656435
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
1-pent-3-ynylpyrrolidine-2-carbonitrile
CID 104807705
1-[1-(2-methylbutyl)piperidin-2-yl]ethanone
CID 63846542
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426

Frequently Asked Questions

What is the IUPAC name of 1-(1-pent-3-ynylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(1-pent-3-ynylpiperidin-2-yl)ethanone (CID 104807764) is 1-(1-pent-3-ynylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-pent-3-ynylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(1-pent-3-ynylpiperidin-2-yl)ethanone is CC#CCCN1CCCCC1C(C)=O.
What is the InChIKey of 1-(1-pent-3-ynylpiperidin-2-yl)ethanone?
The InChIKey is OOMQEBVZDQSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-6-9-13-10-7-5-8-12(13)11(2)14/h12H,5-10H2,1-2H3.
What are the key properties of 1-(1-pent-3-ynylpiperidin-2-yl)ethanone?
1-(1-pent-3-ynylpiperidin-2-yl)ethanone has a molecular weight of 193.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pent-3-ynylpiperidin-2-yl)ethanone is sourced from PubChem (CID 104807764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).