2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

C26H32N4O3 — CID 92619042

IUPAC2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H32N4O3/c1-17-5-6-20(22(15-17)33-4)16-30-13-11-19(12-14-30)25-28-23(24(29-25)26(31)27-2)18-7-9-21(32-3)10-8-18/h5-10,15,19H,11-14,16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyHZCFTHQZMKYXDU-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.14
Rot. Bonds7

About 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 92619042) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID92619042
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H32N4O3/c1-17-5-6-20(22(15-17)33-4)16-30-13-11-19(12-14-30)25-28-23(24(29-25)26(31)27-2)18-7-9-21(32-3)10-8-18/h5-10,15,19H,11-14,16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyHZCFTHQZMKYXDU-UHFFFAOYSA-N
XLogP4.14
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 129360797
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 110092685
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42858221
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620322
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (CID 92619042) is 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is HZCFTHQZMKYXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-5-6-20(22(15-17)33-4)16-30-13-11-19(12-14-30)25-28-23(24(29-25)26(31)27-2)18-7-9-21(32-3)10-8-18/h5-10,15,19H,11-14,16H2,1-4H3,(H,27,31)(H,28,29).
What are the key properties of 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 92619042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).