N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C23H32N4O — CID 53062072

IUPACN-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1
InChIInChI=1S/C23H32N4O/c1-4-6-12-26(5-2)23(28)19-10-13-27(14-11-19)22-16-21(24-17-25-22)20-9-7-8-18(3)15-20/h7-9,15-17,19H,4-6,10-14H2,1-3H3
InChIKeyZVRDWFNSAAGONE-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.32
Rot. Bonds7

About N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53062072) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53062072
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1
InChIInChI=1S/C23H32N4O/c1-4-6-12-26(5-2)23(28)19-10-13-27(14-11-19)22-16-21(24-17-25-22)20-9-7-8-18(3)15-20/h7-9,15-17,19H,4-6,10-14H2,1-3H3
InChIKeyZVRDWFNSAAGONE-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(3-methoxypropyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062063
N-(3,5-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062099
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364578
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
N-butyl-N-(3-methylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119096
N-butyl-N-ethyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55478543

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53062072) is N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZVRDWFNSAAGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-6-12-26(5-2)23(28)19-10-13-27(14-11-19)22-16-21(24-17-25-22)20-9-7-8-18(3)15-20/h7-9,15-17,19H,4-6,10-14H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53062072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).