N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H34N4O — CID 51097118

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H34N4O/c1-15-19(16(2)23(3)22-15)13-20(25)21-18-9-11-24(12-10-18)14-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyZBSJQJQOTIOOSI-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51097118) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51097118
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H34N4O/c1-15-19(16(2)23(3)22-15)13-20(25)21-18-9-11-24(12-10-18)14-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyZBSJQJQOTIOOSI-UHFFFAOYSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51097118) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZBSJQJQOTIOOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15-19(16(2)23(3)22-15)13-20(25)21-18-9-11-24(12-10-18)14-17-7-5-4-6-8-17/h17-18H,4-14H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 346.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51097118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).