N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide

C25H28N4O3 — CID 78855313

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-23-8-6-21(7-9-23)24(30)22-10-13-29(14-11-22)25(31)27-16-19-2-4-20(5-3-19)17-28-15-12-26-18-28/h2-9,12,15,18,22H,10-11,13-14,16-17H2,1H3,(H,27,31)
InChIKeyYJPOZOBBPBZNPH-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.74
Rot. Bonds7

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 78855313) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID78855313
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-32-23-8-6-21(7-9-23)24(30)22-10-13-29(14-11-22)25(31)27-16-19-2-4-20(5-3-19)17-28-15-12-26-18-28/h2-9,12,15,18,22H,10-11,13-14,16-17H2,1H3,(H,27,31)
InChIKeyYJPOZOBBPBZNPH-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
ethyl 1-[N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156284
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
7-ethoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869222
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210327

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide (CID 78855313) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is YJPOZOBBPBZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-23-8-6-21(7-9-23)24(30)22-10-13-29(14-11-22)25(31)27-16-19-2-4-20(5-3-19)17-28-15-12-26-18-28/h2-9,12,15,18,22H,10-11,13-14,16-17H2,1H3,(H,27,31).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 78855313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).