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

C26H30N4O3 — CID 92620301

IUPAC4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H30N4O3/c1-17(18-7-5-4-6-8-18)26(32)30-15-13-20(14-16-30)24-28-22(23(29-24)25(31)27-2)19-9-11-21(33-3)12-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,27,31)(H,28,29)/t17-/m0/s1
InChIKeyAOHSWAXRQDAWGD-KRWDZBQOSA-N
MW446.55 g/mol
LogP3.95
Rot. Bonds6

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

4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 92620301) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID92620301
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H30N4O3/c1-17(18-7-5-4-6-8-18)26(32)30-15-13-20(14-16-30)24-28-22(23(29-24)25(31)27-2)19-9-11-21(33-3)12-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,27,31)(H,28,29)/t17-/m0/s1
InChIKeyAOHSWAXRQDAWGD-KRWDZBQOSA-N
XLogP3.95
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

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
2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 155983106
[(1R)-2-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-5-(methylcarbamoyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 68605507
4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 110092685
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 92620301) is 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is AOHSWAXRQDAWGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(18-7-5-4-6-8-18)26(32)30-15-13-20(14-16-30)24-28-22(23(29-24)25(31)27-2)19-9-11-21(33-3)12-10-19/h4-12,17,20H,13-16H2,1-3H3,(H,27,31)(H,28,29)/t17-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide?
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 92620301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).