1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one

C14H23NO — CID 171554477

IUPAC1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one
SMILESCCC#CC1CCN(C(=O)CCCC)CC1
InChIInChI=1S/C14H23NO/c1-3-5-7-13-9-11-15(12-10-13)14(16)8-6-4-2/h13H,3-4,6,8-12H2,1-2H3
InChIKeyZTZJYKOVJLRMNA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one

1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one (PubChem CID 171554477) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one
PubChem CID171554477
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one
SMILESCCC#CC1CCN(C(=O)CCCC)CC1
InChIInChI=1S/C14H23NO/c1-3-5-7-13-9-11-15(12-10-13)14(16)8-6-4-2/h13H,3-4,6,8-12H2,1-2H3
InChIKeyZTZJYKOVJLRMNA-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexanoylpiperidine-4-carbonitrile
CID 49062755
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-decanoylpiperidine-4-carbonitrile
CID 49062541
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one (CID 171554477) is 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one is CCC#CC1CCN(C(=O)CCCC)CC1.
What is the InChIKey of 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one?
The InChIKey is ZTZJYKOVJLRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-7-13-9-11-15(12-10-13)14(16)8-6-4-2/h13H,3-4,6,8-12H2,1-2H3.
What are the key properties of 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one?
1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-ynylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 171554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).