(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone

C22H30N4O — CID 109312199

IUPAC(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
SMILESCCCCN(C)c1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-3-4-14-25(2)22-23-13-10-20(24-22)21(27)26-15-11-19(12-16-26)17-18-8-6-5-7-9-18/h5-10,13,19H,3-4,11-12,14-17H2,1-2H3
InChIKeyYDBPRBMTLYHDRW-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.81
Rot. Bonds7

About (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone (PubChem CID 109312199) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
PubChem CID109312199
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
SMILESCCCCN(C)c1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-3-4-14-25(2)22-23-13-10-20(24-22)21(27)26-15-11-19(12-16-26)17-18-8-6-5-7-9-18/h5-10,13,19H,3-4,11-12,14-17H2,1-2H3
InChIKeyYDBPRBMTLYHDRW-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300530
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone (CID 109312199) is (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone is CCCCN(C)c1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone?
The InChIKey is YDBPRBMTLYHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-14-25(2)22-23-13-10-20(24-22)21(27)26-15-11-19(12-16-26)17-18-8-6-5-7-9-18/h5-10,13,19H,3-4,11-12,14-17H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109312199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).