2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide

C29H34N4O2 — CID 175658636

IUPAC2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C29H34N4O2/c1-21-20-24(25(34)32(4)5)31-26(30-21)28(2)16-18-33(19-17-28)27(35)29(3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20H,16-19H2,1-5H3
InChIKeyRZBKMLKYVCJKPL-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.37
Rot. Bonds5

About 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide

2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide (PubChem CID 175658636) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
PubChem CID175658636
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C29H34N4O2/c1-21-20-24(25(34)32(4)5)31-26(30-21)28(2)16-18-33(19-17-28)27(35)29(3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20H,16-19H2,1-5H3
InChIKeyRZBKMLKYVCJKPL-UHFFFAOYSA-N
XLogP4.37
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide (CID 175658636) is 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C)nc(C2(C)CCN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
The InChIKey is RZBKMLKYVCJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-21-20-24(25(34)32(4)5)31-26(30-21)28(2)16-18-33(19-17-28)27(35)29(3,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20H,16-19H2,1-5H3.
What are the key properties of 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide?
2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 175658636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).