4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide

C24H29N5O3 — CID 123707604

IUPAC4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide
SMILESCOc1ccccc1N1CCC(N(C)C(=O)n2cnc(-c3cccc(C(N)O)c3)c2)CC1
InChIInChI=1S/C24H29N5O3/c1-27(19-10-12-28(13-11-19)21-8-3-4-9-22(21)32-2)24(31)29-15-20(26-16-29)17-6-5-7-18(14-17)23(25)30/h3-9,14-16,19,23,30H,10-13,25H2,1-2H3
InChIKeyHKYZLCLFPHBDBJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.08
Rot. Bonds5

About 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide

4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide (PubChem CID 123707604) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide
PubChem CID123707604
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide
SMILESCOc1ccccc1N1CCC(N(C)C(=O)n2cnc(-c3cccc(C(N)O)c3)c2)CC1
InChIInChI=1S/C24H29N5O3/c1-27(19-10-12-28(13-11-19)21-8-3-4-9-22(21)32-2)24(31)29-15-20(26-16-29)17-6-5-7-18(14-17)23(25)30/h3-9,14-16,19,23,30H,10-13,25H2,1-2H3
InChIKeyHKYZLCLFPHBDBJ-UHFFFAOYSA-N
XLogP3.08
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate
CID 66713848
N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
CID 123757708
4-(1-methoxypyridin-1-ium-3-yl)-N-methyl-N-(oxan-4-yl)imidazole-1-carboxamide
CID 70224645
N-cyclohexyl-4-(1-hydroxypyridin-1-ium-4-yl)-N-methylimidazole-1-carboxamide
CID 121366678
sodium;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methylcarbamoyl chloride;N-[1-(4-bromo-3-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(3-phenylmethoxyphenyl)imidazole-1-carboxamide;hydride;5-(3-phenylmethoxyphenyl)-1H-imidazole
CID 159152492
N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
CID 66683001
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 59144676
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683058
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623

Frequently Asked Questions

What is the IUPAC name of 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide?
The IUPAC name of 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide (CID 123707604) is 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide is COc1ccccc1N1CCC(N(C)C(=O)n2cnc(-c3cccc(C(N)O)c3)c2)CC1.
What is the InChIKey of 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide?
The InChIKey is HKYZLCLFPHBDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-27(19-10-12-28(13-11-19)21-8-3-4-9-22(21)32-2)24(31)29-15-20(26-16-29)17-6-5-7-18(14-17)23(25)30/h3-9,14-16,19,23,30H,10-13,25H2,1-2H3.
What are the key properties of 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide?
4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[amino(hydroxy)methyl]phenyl]-N-[1-(2-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 123707604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).