N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide

C21H25N3O2 — CID 3052570

IUPACN-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-7-9-19(10-8-16)22-21(26)23-20(25)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H2,22,23,25,26)
InChIKeyRZWBUJROGGNDCP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 3052570) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID3052570
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-7-9-19(10-8-16)22-21(26)23-20(25)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H2,22,23,25,26)
InChIKeyRZWBUJROGGNDCP-UHFFFAOYSA-N
XLogP3.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 3052570) is N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is RZWBUJROGGNDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-7-9-19(10-8-16)22-21(26)23-20(25)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H2,22,23,25,26).
What are the key properties of N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3052570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).