1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide

C22H30N4O3 — CID 78890379

IUPAC1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-3-14-29-16-19-7-5-4-6-18(19)15-24-21(27)17-9-12-26(13-10-17)22-23-11-8-20(25-22)28-2/h4-8,11,17H,3,9-10,12-16H2,1-2H3,(H,24,27)
InChIKeyFCQJHTDYWXZXJF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.94
Rot. Bonds9

About 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 78890379) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID78890379
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)C1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-3-14-29-16-19-7-5-4-6-18(19)15-24-21(27)17-9-12-26(13-10-17)22-23-11-8-20(25-22)28-2/h4-8,11,17H,3,9-10,12-16H2,1-2H3,(H,24,27)
InChIKeyFCQJHTDYWXZXJF-UHFFFAOYSA-N
XLogP2.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 167931722
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 78852719
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110015310
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 134800551

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 78890379) is 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide is CCCOCc1ccccc1CNC(=O)C1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FCQJHTDYWXZXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-14-29-16-19-7-5-4-6-18(19)15-24-21(27)17-9-12-26(13-10-17)22-23-11-8-20(25-22)28-2/h4-8,11,17H,3,9-10,12-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78890379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).