[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C17H27N3O3 — CID 97120712

IUPAC[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@](CO)(CCOC)C1
InChIInChI=1S/C17H27N3O3/c1-3-5-15-14(10-18-13-19-15)16(22)20-8-4-6-17(11-20,12-21)7-9-23-2/h10,13,21H,3-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyUMRBOKMDMDWMBW-QGZVFWFLSA-N
MW321.42 g/mol
LogP1.68
Rot. Bonds7

About [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 97120712) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID97120712
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@](CO)(CCOC)C1
InChIInChI=1S/C17H27N3O3/c1-3-5-15-14(10-18-13-19-15)16(22)20-8-4-6-17(11-20,12-21)7-9-23-2/h10,13,21H,3-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyUMRBOKMDMDWMBW-QGZVFWFLSA-N
XLogP1.68
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 97129895
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 72892757
(5-chloro-2-methoxyphenyl)-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97142593
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 72932601
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97149583
(2,6-dimethylpyrimidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97138865
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 97155834
9-(4-propylpyrimidine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56905303
1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 97141785
(2,3-difluoro-4-methoxyphenyl)-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 70742601

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 97120712) is [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCC[C@@](CO)(CCOC)C1.
What is the InChIKey of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is UMRBOKMDMDWMBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-5-15-14(10-18-13-19-15)16(22)20-8-4-6-17(11-20,12-21)7-9-23-2/h10,13,21H,3-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 97120712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).