[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C15H22N2O4 — CID 155915724

IUPAC[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2ncccc2O)C[C@H]1O
InChIInChI=1S/C15H22N2O4/c1-2-5-15(10-18)6-8-17(9-12(15)20)14(21)13-11(19)4-3-7-16-13/h3-4,7,12,18-20H,2,5-6,8-10H2,1H3/t12-,15-/m1/s1
InChIKeyZPWFCXCHYWTUDY-IUODEOHRSA-N
MW294.35 g/mol
LogP0.77
Rot. Bonds4

About [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 155915724) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID155915724
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2ncccc2O)C[C@H]1O
InChIInChI=1S/C15H22N2O4/c1-2-5-15(10-18)6-8-17(9-12(15)20)14(21)13-11(19)4-3-7-16-13/h3-4,7,12,18-20H,2,5-6,8-10H2,1H3/t12-,15-/m1/s1
InChIKeyZPWFCXCHYWTUDY-IUODEOHRSA-N
XLogP0.77
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone with MolForge

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Related Compounds

(3S,4S)-4-benzyl-3-hydroxy-1-(3-hydroxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 164690311
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone
CID 155919333
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 155499872
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 164691604
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 155912436
(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol
CID 155915717
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 155915724) is [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is CCC[C@]1(CO)CCN(C(=O)c2ncccc2O)C[C@H]1O.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is ZPWFCXCHYWTUDY-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-5-15(10-18)6-8-17(9-12(15)20)14(21)13-11(19)4-3-7-16-13/h3-4,7,12,18-20H,2,5-6,8-10H2,1H3/t12-,15-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 155915724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).