1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one

C19H29N3O2 — CID 97197401

IUPAC1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
SMILESCN1CCC[C@H](CCC(=O)N2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-21-11-3-4-16(15-21)6-7-18(23)22-12-8-19(24,9-13-22)17-5-2-10-20-14-17/h2,5,10,14,16,24H,3-4,6-9,11-13,15H2,1H3/t16-/m1/s1
InChIKeyLLWCJJGGZMRQNK-MRXNPFEDSA-N
MW331.46 g/mol
LogP2.01
Rot. Bonds4

About 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one

1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one (PubChem CID 97197401) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
PubChem CID97197401
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
SMILESCN1CCC[C@H](CCC(=O)N2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-21-11-3-4-16(15-21)6-7-18(23)22-12-8-19(24,9-13-22)17-5-2-10-20-14-17/h2,5,10,14,16,24H,3-4,6-9,11-13,15H2,1H3/t16-/m1/s1
InChIKeyLLWCJJGGZMRQNK-MRXNPFEDSA-N
XLogP2.01
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one with MolForge

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Related Compounds

1-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 97190884
1-(4-methylpiperazin-1-yl)-3-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
CID 25297126
1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
CID 45210346
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one (CID 97197401) is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one is CN1CCC[C@H](CCC(=O)N2CCC(O)(c3cccnc3)CC2)C1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
The InChIKey is LLWCJJGGZMRQNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-11-3-4-16(15-21)6-7-18(23)22-12-8-19(24,9-13-22)17-5-2-10-20-14-17/h2,5,10,14,16,24H,3-4,6-9,11-13,15H2,1H3/t16-/m1/s1.
What are the key properties of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one?
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one is sourced from PubChem (CID 97197401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).