N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C22H28N4O — CID 53108563

IUPACN-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O/c27-21(25-20-7-3-1-4-8-20)18-11-9-17(10-12-18)19-15-23-22(24-16-19)26-13-5-2-6-14-26/h9-12,15-16,20H,1-8,13-14H2,(H,25,27)
InChIKeyVRUALYINEHIQNQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.20
Rot. Bonds4

About N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108563) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108563
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O/c27-21(25-20-7-3-1-4-8-20)18-11-9-17(10-12-18)19-15-23-22(24-16-19)26-13-5-2-6-14-26/h9-12,15-16,20H,1-8,13-14H2,(H,25,27)
InChIKeyVRUALYINEHIQNQ-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086250
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108581
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
CID 58653513
N-cyclooctyl-4-methylbenzamide
CID 3995245
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53108563) is N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is O=C(NC1CCCCC1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is VRUALYINEHIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(25-20-7-3-1-4-8-20)18-11-9-17(10-12-18)19-15-23-22(24-16-19)26-13-5-2-6-14-26/h9-12,15-16,20H,1-8,13-14H2,(H,25,27).
What are the key properties of N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).