1-pent-3-ynylpiperidin-4-one

C10H15NO — CID 104807755

IUPAC1-pent-3-ynylpiperidin-4-one
SMILESCC#CCCN1CCC(=O)CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h4-9H2,1H3
InChIKeyKASYAJOUYDPWSI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.06
Rot. Bonds2

About 1-pent-3-ynylpiperidin-4-one

1-pent-3-ynylpiperidin-4-one (PubChem CID 104807755) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-pent-3-ynylpiperidin-4-one.

Molecular Properties

Compound Name1-pent-3-ynylpiperidin-4-one
PubChem CID104807755
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-pent-3-ynylpiperidin-4-one
SMILESCC#CCCN1CCC(=O)CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h4-9H2,1H3
InChIKeyKASYAJOUYDPWSI-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.06
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-methyl-4-pent-3-ynylpiperazine
CID 126973229
3-(4-oxopiperidin-1-yl)propanenitrile;hydrochloride
CID 166451430
2-(4-pent-3-ynylpiperazin-1-yl)ethanesulfonic acid
CID 118360961
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
butane;1-butylpiperidin-4-one
CID 177152756
1-hex-5-ynylpiperidin-4-one
CID 106210482
1-pentadecylpiperidin-4-one
CID 10267366
1-[3-(dipropylamino)propyl]piperidin-4-one
CID 18001996
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
1-(3-fluoropropyl)piperidin-4-one
CID 81105604
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
CID 104808762
2-methyl-2-(4-pent-3-ynylpiperazin-1-yl)propanenitrile
CID 104807701

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-ynylpiperidin-4-one?
The IUPAC name of 1-pent-3-ynylpiperidin-4-one (CID 104807755) is 1-pent-3-ynylpiperidin-4-one.
What is the SMILES notation for 1-pent-3-ynylpiperidin-4-one?
The canonical SMILES for 1-pent-3-ynylpiperidin-4-one is CC#CCCN1CCC(=O)CC1.
What is the InChIKey of 1-pent-3-ynylpiperidin-4-one?
The InChIKey is KASYAJOUYDPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h4-9H2,1H3.
What are the key properties of 1-pent-3-ynylpiperidin-4-one?
1-pent-3-ynylpiperidin-4-one has a molecular weight of 165.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-ynylpiperidin-4-one is sourced from PubChem (CID 104807755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).