6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

C22H30N4O — CID 109373405

IUPAC6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H30N4O/c1-4-25(5-2)22(27)20-16-21(24-17(3)23-20)26-13-11-19(12-14-26)15-18-9-7-6-8-10-18/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyVLCYAJOWAMWOCH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.73
Rot. Bonds6

About 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide

6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109373405) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109373405
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C22H30N4O/c1-4-25(5-2)22(27)20-16-21(24-17(3)23-20)26-13-11-19(12-14-26)15-18-9-7-6-8-10-18/h6-10,16,19H,4-5,11-15H2,1-3H3
InChIKeyVLCYAJOWAMWOCH-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365399
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
CID 112867912
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847677
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide (CID 109373405) is 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is VLCYAJOWAMWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-25(5-2)22(27)20-16-21(24-17(3)23-20)26-13-11-19(12-14-26)15-18-9-7-6-8-10-18/h6-10,16,19H,4-5,11-15H2,1-3H3.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide?
6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).