N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C15H24N4O2 — CID 53102042

IUPACN-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C15H24N4O2/c1-12-6-8-17-15(18-12)19-9-3-5-13(11-19)14(20)16-7-4-10-21-2/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,20)
InChIKeyCXWXMMCEFGETLZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds6

About N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53102042) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53102042
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C15H24N4O2/c1-12-6-8-17-15(18-12)19-9-3-5-13(11-19)14(20)16-7-4-10-21-2/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,20)
InChIKeyCXWXMMCEFGETLZ-UHFFFAOYSA-N
XLogP1.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53102042) is N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is CXWXMMCEFGETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-6-8-17-15(18-12)19-9-3-5-13(11-19)14(20)16-7-4-10-21-2/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,20).
What are the key properties of N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53102042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).