(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C18H28N4O2 — CID 91783038

IUPAC(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-2-16-19-11-15(12-20-16)17(24)22-9-5-18(14-23,6-10-22)13-21-7-3-4-8-21/h11-12,23H,2-10,13-14H2,1H3
InChIKeyWSVSNCIXGYSYOT-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.35
Rot. Bonds5

About (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 91783038) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID91783038
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-2-16-19-11-15(12-20-16)17(24)22-9-5-18(14-23,6-10-22)13-21-7-3-4-8-21/h11-12,23H,2-10,13-14H2,1H3
InChIKeyWSVSNCIXGYSYOT-UHFFFAOYSA-N
XLogP1.35
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 91783038) is (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WSVSNCIXGYSYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-16-19-11-15(12-20-16)17(24)22-9-5-18(14-23,6-10-22)13-21-7-3-4-8-21/h11-12,23H,2-10,13-14H2,1H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91783038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).