N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide

C17H26N4O — CID 146126539

IUPACN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1nccc(N2CCC(NC(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-18-10-7-16(19-13)21-11-8-15(9-12-21)20-17(22)14-5-3-2-4-6-14/h7,10,14-15H,2-6,8-9,11-12H2,1H3,(H,20,22)
InChIKeyIONOOOYIVWGTQO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 146126539) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID146126539
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1nccc(N2CCC(NC(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-18-10-7-16(19-13)21-11-8-15(9-12-21)20-17(22)14-5-3-2-4-6-14/h7,10,14-15H,2-6,8-9,11-12H2,1H3,(H,20,22)
InChIKeyIONOOOYIVWGTQO-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 133291492
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 75494317
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146079677
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide (CID 146126539) is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide is Cc1nccc(N2CCC(NC(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is IONOOOYIVWGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-18-10-7-16(19-13)21-11-8-15(9-12-21)20-17(22)14-5-3-2-4-6-14/h7,10,14-15H,2-6,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 146126539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).