N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide

C25H29N5O2 — CID 155950924

IUPACN'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(CCN2CCCCC2)cc1)C(=O)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H29N5O2/c31-24(25(32)28-23-10-6-21(7-11-23)18-30-17-13-26-19-30)27-22-8-4-20(5-9-22)12-16-29-14-2-1-3-15-29/h4-11,13,17,19H,1-3,12,14-16,18H2,(H,27,31)(H,28,32)
InChIKeyWWMOVDLDVKQVOF-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.54
Rot. Bonds7

About N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide

N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide (PubChem CID 155950924) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
PubChem CID155950924
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(CCN2CCCCC2)cc1)C(=O)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H29N5O2/c31-24(25(32)28-23-10-6-21(7-11-23)18-30-17-13-26-19-30)27-22-8-4-20(5-9-22)12-16-29-14-2-1-3-15-29/h4-11,13,17,19H,1-3,12,14-16,18H2,(H,27,31)(H,28,32)
InChIKeyWWMOVDLDVKQVOF-UHFFFAOYSA-N
XLogP3.54
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-N'-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155945405
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
CID 155967280
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
CID 166262499

Frequently Asked Questions

What is the IUPAC name of N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide?
The IUPAC name of N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide (CID 155950924) is N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide.
What is the SMILES notation for N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide?
The canonical SMILES for N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide is O=C(Nc1ccc(CCN2CCCCC2)cc1)C(=O)Nc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide?
The InChIKey is WWMOVDLDVKQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-24(25(32)28-23-10-6-21(7-11-23)18-30-17-13-26-19-30)27-22-8-4-20(5-9-22)12-16-29-14-2-1-3-15-29/h4-11,13,17,19H,1-3,12,14-16,18H2,(H,27,31)(H,28,32).
What are the key properties of N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide?
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide has a molecular weight of 431.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide is sourced from PubChem (CID 155950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).