4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide

C26H41N7O — CID 129124844

IUPAC4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCC1CN(c2ncc(C#N)cn2)CC(C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34)
InChIKeyREXNCQCZFLVCTB-UHFFFAOYSA-N
MW467.66 g/mol
LogP3.64
Rot. Bonds6

About 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide

4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide (PubChem CID 129124844) has the molecular formula C26H41N7O and a molecular weight of 467.66 g/mol. Its IUPAC name is 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
PubChem CID129124844
Molecular FormulaC26H41N7O
Molecular Weight467.66 g/mol
Exact Mass467.34
IUPAC Name4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCC1CN(c2ncc(C#N)cn2)CC(C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34)
InChIKeyREXNCQCZFLVCTB-UHFFFAOYSA-N
XLogP3.64
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide (CID 129124844) is 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide is CC1CN(c2ncc(C#N)cn2)CC(C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
The InChIKey is REXNCQCZFLVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N7O/c1-20-17-32(25-29-15-24(14-27)16-30-25)18-21(2)33(20)26(34)28-11-8-22-9-12-31(13-10-22)19-23-6-4-3-5-7-23/h15-16,20-23H,3-13,17-19H2,1-2H3,(H,28,34).
What are the key properties of 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide?
4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide has a molecular weight of 467.66 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyanopyrimidin-2-yl)-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-2,6-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 129124844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).