5-(1-iodopiperidin-4-yl)pent-1-en-3-one

C10H16INO — CID 155188963

IUPAC5-(1-iodopiperidin-4-yl)pent-1-en-3-one
SMILESC=CC(=O)CCC1CCN(I)CC1
InChIInChI=1S/C10H16INO/c1-2-10(13)4-3-9-5-7-12(11)8-6-9/h2,9H,1,3-8H2
InChIKeyNWWOSWRCZBESNL-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.58
Rot. Bonds4

About 5-(1-iodopiperidin-4-yl)pent-1-en-3-one

5-(1-iodopiperidin-4-yl)pent-1-en-3-one (PubChem CID 155188963) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-(1-iodopiperidin-4-yl)pent-1-en-3-one.

Molecular Properties

Compound Name5-(1-iodopiperidin-4-yl)pent-1-en-3-one
PubChem CID155188963
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name5-(1-iodopiperidin-4-yl)pent-1-en-3-one
SMILESC=CC(=O)CCC1CCN(I)CC1
InChIInChI=1S/C10H16INO/c1-2-10(13)4-3-9-5-7-12(11)8-6-9/h2,9H,1,3-8H2
InChIKeyNWWOSWRCZBESNL-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-(oxolan-3-yl)pent-1-en-3-one
CID 131226975
5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pent-1-en-3-one;propane
CID 176684022
(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide
CID 172956862
1-cyclopropylbut-3-en-2-one
CID 66652503
prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
CID 54057799
1-ethyl-4-[2-(1-iodopiperidin-4-yl)ethyl]piperidine
CID 171641837
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
5-[(11R)-9-methyl-5-(trifluoromethyl)-8-oxa-1,3-diazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-13-yl]pent-1-en-3-one
CID 167172784
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
3-[1-(but-3-enylcarbamoyl)piperidin-4-yl]propanoic acid
CID 113465876

Frequently Asked Questions

What is the IUPAC name of 5-(1-iodopiperidin-4-yl)pent-1-en-3-one?
The IUPAC name of 5-(1-iodopiperidin-4-yl)pent-1-en-3-one (CID 155188963) is 5-(1-iodopiperidin-4-yl)pent-1-en-3-one.
What is the SMILES notation for 5-(1-iodopiperidin-4-yl)pent-1-en-3-one?
The canonical SMILES for 5-(1-iodopiperidin-4-yl)pent-1-en-3-one is C=CC(=O)CCC1CCN(I)CC1.
What is the InChIKey of 5-(1-iodopiperidin-4-yl)pent-1-en-3-one?
The InChIKey is NWWOSWRCZBESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c1-2-10(13)4-3-9-5-7-12(11)8-6-9/h2,9H,1,3-8H2.
What are the key properties of 5-(1-iodopiperidin-4-yl)pent-1-en-3-one?
5-(1-iodopiperidin-4-yl)pent-1-en-3-one has a molecular weight of 293.15 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodopiperidin-4-yl)pent-1-en-3-one is sourced from PubChem (CID 155188963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).