N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C25H28N4O — CID 53108802

IUPACN-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)19(2)28-24(30)22-8-6-7-21(15-22)23-16-26-25(27-17-23)29-13-4-3-5-14-29/h6-12,15-17,19H,3-5,13-14H2,1-2H3,(H,28,30)
InChIKeyIMYIGQHJQXMBQG-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.93
Rot. Bonds5

About N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108802) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108802
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)19(2)28-24(30)22-8-6-7-21(15-22)23-16-26-25(27-17-23)29-13-4-3-5-14-29/h6-12,15-17,19H,3-5,13-14H2,1-2H3,(H,28,30)
InChIKeyIMYIGQHJQXMBQG-UHFFFAOYSA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108719
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108798
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108749
N-[(1R)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882378
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882379
N-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883223
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53108802) is N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is Cc1ccc(C(C)NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is IMYIGQHJQXMBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-9-11-20(12-10-18)19(2)28-24(30)22-8-6-7-21(15-22)23-16-26-25(27-17-23)29-13-4-3-5-14-29/h6-12,15-17,19H,3-5,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).