N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C25H28N4O — CID 53010331

IUPACN-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nc2)c1
InChIInChI=1S/C25H28N4O/c1-19-7-6-10-22(15-19)23-16-26-25(27-17-23)29-13-11-21(12-14-29)24(30)28(2)18-20-8-4-3-5-9-20/h3-10,15-17,21H,11-14,18H2,1-2H3
InChIKeyMXJUBTZFHZNKBA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.33
Rot. Bonds5

About N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 53010331) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID53010331
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nc2)c1
InChIInChI=1S/C25H28N4O/c1-19-7-6-10-22(15-19)23-16-26-25(27-17-23)29-13-11-21(12-14-29)24(30)28(2)18-20-8-4-3-5-9-20/h3-10,15-17,21H,11-14,18H2,1-2H3
InChIKeyMXJUBTZFHZNKBA-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
tert-butyl N-[2-[[3-[2-[4-(diethylcarbamoyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70571430
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572030
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571684
2-amino-N-[[3-[2-[4-(2-methoxyethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 70572185
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 53010331) is N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cccc(-c2cnc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nc2)c1.
What is the InChIKey of N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is MXJUBTZFHZNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-7-6-10-22(15-19)23-16-26-25(27-17-23)29-13-11-21(12-14-29)24(30)28(2)18-20-8-4-3-5-9-20/h3-10,15-17,21H,11-14,18H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53010331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).