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

C16H26N4O2 — CID 53102145

IUPACN-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-22-12-4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(2)19-16/h5,9,14H,3-4,6-8,10-12H2,1-2H3,(H,17,21)
InChIKeyRSVZQXWYGBERFC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.54
Rot. Bonds7

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

N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102145) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102145
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-22-12-4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(2)19-16/h5,9,14H,3-4,6-8,10-12H2,1-2H3,(H,17,21)
InChIKeyRSVZQXWYGBERFC-UHFFFAOYSA-N
XLogP1.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.54
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-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102145) is N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is RSVZQXWYGBERFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-22-12-4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(2)19-16/h5,9,14H,3-4,6-8,10-12H2,1-2H3,(H,17,21).
What are the key properties of N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).