(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone

C16H25N3O2 — CID 70777430

IUPAC(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CCCOC)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-15-17-10-14(11-18-15)16(20)19-8-4-6-13(12-19)7-5-9-21-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyRLTJJMCSCPRMFG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.32
Rot. Bonds6

About (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70777430) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70777430
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(CCCOC)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-15-17-10-14(11-18-15)16(20)19-8-4-6-13(12-19)7-5-9-21-2/h10-11,13H,3-9,12H2,1-2H3
InChIKeyRLTJJMCSCPRMFG-UHFFFAOYSA-N
XLogP2.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70777430) is (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCCC(CCCOC)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is RLTJJMCSCPRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-15-17-10-14(11-18-15)16(20)19-8-4-6-13(12-19)7-5-9-21-2/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70777430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).