1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride

C18H28ClN3O — CID 118741827

IUPAC1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15;/h4-6,15,19H,1-3,7-14H2;1H
InChIKeyOAGYDYIHFBMLJG-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.92
Rot. Bonds4

About 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride

1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride (PubChem CID 118741827) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
PubChem CID118741827
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15;/h4-6,15,19H,1-3,7-14H2;1H
InChIKeyOAGYDYIHFBMLJG-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride 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-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
CID 95826603
3-(6-piperidin-4-yl-2-pyridinyl)-N-(1H-pyrazol-4-yl)propanamide
CID 95827035
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
3-[6-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-2-pyridinyl]propanamide
CID 95820769
3-[6-[1-(oxane-4-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820768
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
3-(6-amino-5-phenyl-2-pyridinyl)-1-piperidin-1-ylpropan-1-one
CID 59152269

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride?
The IUPAC name of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride (CID 118741827) is 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride is Cl.O=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride?
The InChIKey is OAGYDYIHFBMLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15;/h4-6,15,19H,1-3,7-14H2;1H.
What are the key properties of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride?
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride is sourced from PubChem (CID 118741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).