N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C22H30N4O — CID 53061994

IUPACN-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C22H30N4O/c1-2-3-4-8-13-23-22(27)19-11-14-26(15-12-19)21-16-20(24-17-25-21)18-9-6-5-7-10-18/h5-7,9-10,16-17,19H,2-4,8,11-15H2,1H3,(H,23,27)
InChIKeyQDAHGZJBWVGELV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.06
Rot. Bonds8

About N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53061994) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53061994
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C22H30N4O/c1-2-3-4-8-13-23-22(27)19-11-14-26(15-12-19)21-16-20(24-17-25-21)18-9-6-5-7-10-18/h5-7,9-10,16-17,19H,2-4,8,11-15H2,1H3,(H,23,27)
InChIKeyQDAHGZJBWVGELV-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.06
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

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53061994) is N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is CCCCCCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is QDAHGZJBWVGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-3-4-8-13-23-22(27)19-11-14-26(15-12-19)21-16-20(24-17-25-21)18-9-6-5-7-10-18/h5-7,9-10,16-17,19H,2-4,8,11-15H2,1H3,(H,23,27).
What are the key properties of N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53061994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).