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

C18H27N3O2 — CID 97129895

IUPAC[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C18H27N3O2/c1-2-4-16-15(10-19-13-20-16)17(23)21-8-3-7-18(11-21,12-22)9-14-5-6-14/h10,13-14,22H,2-9,11-12H2,1H3/t18-/m1/s1
InChIKeyLMOKWGIKRLLIMI-GOSISDBHSA-N
MW317.43 g/mol
LogP2.44
Rot. Bonds6

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

[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 97129895) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID97129895
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@](CO)(CC2CC2)C1
InChIInChI=1S/C18H27N3O2/c1-2-4-16-15(10-19-13-20-16)17(23)21-8-3-7-18(11-21,12-22)9-14-5-6-14/h10,13-14,22H,2-9,11-12H2,1H3/t18-/m1/s1
InChIKeyLMOKWGIKRLLIMI-GOSISDBHSA-N
XLogP2.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 97129895) is [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCC[C@@](CO)(CC2CC2)C1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is LMOKWGIKRLLIMI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-4-16-15(10-19-13-20-16)17(23)21-8-3-7-18(11-21,12-22)9-14-5-6-14/h10,13-14,22H,2-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 97129895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).