[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

C17H25N3O3 — CID 138026458

IUPAC[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)ncn1
InChIInChI=1S/C17H25N3O3/c1-22-16-10-15(18-12-19-16)17(21)20-8-6-14(7-9-20)23-11-13-4-2-3-5-13/h10,12-14H,2-9,11H2,1H3
InChIKeyMKBORYCPEYSRFG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.30
Rot. Bonds5

About [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 138026458) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
PubChem CID138026458
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)ncn1
InChIInChI=1S/C17H25N3O3/c1-22-16-10-15(18-12-19-16)17(21)20-8-6-14(7-9-20)23-11-13-4-2-3-5-13/h10,12-14H,2-9,11H2,1H3
InChIKeyMKBORYCPEYSRFG-UHFFFAOYSA-N
XLogP2.30
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (CID 138026458) is [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)ncn1.
What is the InChIKey of [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is MKBORYCPEYSRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-16-10-15(18-12-19-16)17(21)20-8-6-14(7-9-20)23-11-13-4-2-3-5-13/h10,12-14H,2-9,11H2,1H3.
What are the key properties of [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
[4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethoxy)piperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 138026458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).