N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

C18H22N4O2 — CID 109298248

IUPACN-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)13-20-17(23)16-9-10-19-18(21-16)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23)
InChIKeyCSKWKEACQWEHOS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109298248) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID109298248
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)13-20-17(23)16-9-10-19-18(21-16)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23)
InChIKeyCSKWKEACQWEHOS-UHFFFAOYSA-N
XLogP2.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306452
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298249
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 109298248) is N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is CSKWKEACQWEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-7-5-14(6-8-15)13-20-17(23)16-9-10-19-18(21-16)22-11-3-2-4-12-22/h5-10H,2-4,11-13H2,1H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109298248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).