1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide

C14H22N4O — CID 53035320

IUPAC1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,19)
InChIKeyGPUMHZDENYAHMJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.53
Rot. Bonds4

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

1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 53035320) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide
PubChem CID53035320
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,19)
InChIKeyGPUMHZDENYAHMJ-UHFFFAOYSA-N
XLogP1.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide (CID 53035320) is 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is GPUMHZDENYAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h6,8,12H,3-5,7,9-10H2,1-2H3,(H,15,19).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 53035320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).