N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide

C25H28N4O4 — CID 55851771

IUPACN-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OCc3nccn3C)cc2)CC1
InChIInChI=1S/C25H28N4O4/c1-28-16-13-26-23(28)17-33-20-9-7-19(8-10-20)25(31)29-14-11-18(12-15-29)24(30)27-21-5-3-4-6-22(21)32-2/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeyHONCTHCQQHTYAB-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.50
Rot. Bonds7

About N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide (PubChem CID 55851771) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
PubChem CID55851771
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OCc3nccn3C)cc2)CC1
InChIInChI=1S/C25H28N4O4/c1-28-16-13-26-23(28)17-33-20-9-7-19(8-10-20)25(31)29-14-11-18(12-15-29)24(30)27-21-5-3-4-6-22(21)32-2/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeyHONCTHCQQHTYAB-UHFFFAOYSA-N
XLogP3.50
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38645004
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
1-(3-aminopyrazine-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38645394
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide (CID 55851771) is N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OCc3nccn3C)cc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide?
The InChIKey is HONCTHCQQHTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-28-16-13-26-23(28)17-33-20-9-7-19(8-10-20)25(31)29-14-11-18(12-15-29)24(30)27-21-5-3-4-6-22(21)32-2/h3-10,13,16,18H,11-12,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).