N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C26H30N4O4 — CID 55968781

IUPACN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C26H30N4O4/c1-29-16-14-27-24(29)19-34-23-11-9-21(10-12-23)28-26(32)20-6-5-15-30(18-20)25(31)13-17-33-22-7-3-2-4-8-22/h2-4,7-12,14,16,20H,5-6,13,15,17-19H2,1H3,(H,28,32)
InChIKeyOGFYPEUQLBEDRP-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.65
Rot. Bonds9

About N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55968781) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55968781
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C26H30N4O4/c1-29-16-14-27-24(29)19-34-23-11-9-21(10-12-23)28-26(32)20-6-5-15-30(18-20)25(31)13-17-33-22-7-3-2-4-8-22/h2-4,7-12,14,16,20H,5-6,13,15,17-19H2,1H3,(H,28,32)
InChIKeyOGFYPEUQLBEDRP-UHFFFAOYSA-N
XLogP3.65
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55966662
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55966537
N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
CID 56502988
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 94518565
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55968781) is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is Cn1ccnc1COc1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is OGFYPEUQLBEDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-29-16-14-27-24(29)19-34-23-11-9-21(10-12-23)28-26(32)20-6-5-15-30(18-20)25(31)13-17-33-22-7-3-2-4-8-22/h2-4,7-12,14,16,20H,5-6,13,15,17-19H2,1H3,(H,28,32).
What are the key properties of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55968781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).