2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride

C15H23ClN2O2 — CID 71645321

IUPAC2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(COCCCC1CCCNC1)c1ccccn1
InChIInChI=1S/C15H22N2O2.ClH/c18-15(14-7-1-2-9-17-14)12-19-10-4-6-13-5-3-8-16-11-13;/h1-2,7,9,13,16H,3-6,8,10-12H2;1H
InChIKeyXWZGMXCVVIASAR-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.48
Rot. Bonds7

About 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride

2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride (PubChem CID 71645321) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
PubChem CID71645321
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(COCCCC1CCCNC1)c1ccccn1
InChIInChI=1S/C15H22N2O2.ClH/c18-15(14-7-1-2-9-17-14)12-19-10-4-6-13-5-3-8-16-11-13;/h1-2,7,9,13,16H,3-6,8,10-12H2;1H
InChIKeyXWZGMXCVVIASAR-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
CID 71645283
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride?
The IUPAC name of 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride (CID 71645321) is 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride is Cl.O=C(COCCCC1CCCNC1)c1ccccn1.
What is the InChIKey of 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride?
The InChIKey is XWZGMXCVVIASAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c18-15(14-7-1-2-9-17-14)12-19-10-4-6-13-5-3-8-16-11-13;/h1-2,7,9,13,16H,3-6,8,10-12H2;1H.
What are the key properties of 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride?
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride is sourced from PubChem (CID 71645321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).