1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide

C22H30N4O — CID 53107235

IUPAC1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-3-4-5-11-23-21(27)18-9-12-26(13-10-18)22-24-15-20(16-25-22)19-8-6-7-17(2)14-19/h6-8,14-16,18H,3-5,9-13H2,1-2H3,(H,23,27)
InChIKeyOUMIDOIVNACGQI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.97
Rot. Bonds7

About 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide (PubChem CID 53107235) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
PubChem CID53107235
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-3-4-5-11-23-21(27)18-9-12-26(13-10-18)22-24-15-20(16-25-22)19-8-6-7-17(2)14-19/h6-8,14-16,18H,3-5,9-13H2,1-2H3,(H,23,27)
InChIKeyOUMIDOIVNACGQI-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
N-butyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107070
1-[[4-ethyl-3-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 78904525
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide (CID 53107235) is 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1.
What is the InChIKey of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is OUMIDOIVNACGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-5-11-23-21(27)18-9-12-26(13-10-18)22-24-15-20(16-25-22)19-8-6-7-17(2)14-19/h6-8,14-16,18H,3-5,9-13H2,1-2H3,(H,23,27).
What are the key properties of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide?
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 53107235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).