N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C18H22N4O3 — CID 109250215

IUPACN-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-6-7-16(25-2)15(10-14)21-17(23)13-11-19-18(20-12-13)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyOVIFBPMJKXPWAE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250215) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250215
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-24-14-6-7-16(25-2)15(10-14)21-17(23)13-11-19-18(20-12-13)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyOVIFBPMJKXPWAE-UHFFFAOYSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264475
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254548
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250215) is N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(N3CCCCC3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is OVIFBPMJKXPWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-6-7-16(25-2)15(10-14)21-17(23)13-11-19-18(20-12-13)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).