N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide

C18H22N4O2 — CID 3055421

IUPACN-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1ncncc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-18-16(11-19-13-20-18)17(23)21-15-7-9-22(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3,(H,21,23)
InChIKeyLOQBSZZGANILFI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.88
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide

N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055421) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
PubChem CID3055421
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1ncncc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-18-16(11-19-13-20-18)17(23)21-15-7-9-22(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3,(H,21,23)
InChIKeyLOQBSZZGANILFI-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide (CID 3055421) is N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide is COc1ncncc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide?
The InChIKey is LOQBSZZGANILFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-18-16(11-19-13-20-18)17(23)21-15-7-9-22(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).