N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

C21H30N2O2 — CID 651461

IUPACN-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-9-17(10-8-16)21(25)18-11-13-23(14-12-18)15-20(24)22-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyZMUQDUJPVNTJBS-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.34
Rot. Bonds5

About N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (PubChem CID 651461) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
PubChem CID651461
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16-7-9-17(10-8-16)21(25)18-11-13-23(14-12-18)15-20(24)22-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyZMUQDUJPVNTJBS-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (CID 651461) is N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is Cc1ccc(C(=O)C2CCN(CC(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The InChIKey is ZMUQDUJPVNTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-7-9-17(10-8-16)21(25)18-11-13-23(14-12-18)15-20(24)22-19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-15H2,1H3,(H,22,24).
What are the key properties of N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 651461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).