N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H30N4O — CID 653492

IUPACN-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3,(H,20,24)
InChIKeyWPVQEUYSJRVARZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.01
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 653492) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID653492
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3,(H,20,24)
InChIKeyWPVQEUYSJRVARZ-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 653492) is N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is WPVQEUYSJRVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h12,16-17H,3-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 653492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).