N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide

C17H28N4O3 — CID 43817667

IUPACN-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-4-24-11-5-8-18-16(22)14-6-9-21(10-7-14)17-19-13(2)12-15(20-17)23-3/h12,14H,4-11H2,1-3H3,(H,18,22)
InChIKeyCJLSUHMAAVZHEQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.55
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 43817667) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID43817667
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-4-24-11-5-8-18-16(22)14-6-9-21(10-7-14)17-19-13(2)12-15(20-17)23-3/h12,14H,4-11H2,1-3H3,(H,18,22)
InChIKeyCJLSUHMAAVZHEQ-UHFFFAOYSA-N
XLogP1.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 43817667) is N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nc(C)cc(OC)n2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is CJLSUHMAAVZHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-24-11-5-8-18-16(22)14-6-9-21(10-7-14)17-19-13(2)12-15(20-17)23-3/h12,14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43817667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).