2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one

C21H30N4O3 — CID 70335520

IUPAC2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N(CC2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C21H30N4O3/c1-14(2)12-21(3)19(28)25(20(22)23-21)13-15-8-10-24(11-9-15)18(27)16-4-6-17(26)7-5-16/h4-7,14-15,26H,8-13H2,1-3H3,(H2,22,23)
InChIKeyCEYOKRACNKMQQP-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one

2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one (PubChem CID 70335520) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
PubChem CID70335520
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N(CC2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C21H30N4O3/c1-14(2)12-21(3)19(28)25(20(22)23-21)13-15-8-10-24(11-9-15)18(27)16-4-6-17(26)7-5-16/h4-7,14-15,26H,8-13H2,1-3H3,(H2,22,23)
InChIKeyCEYOKRACNKMQQP-UHFFFAOYSA-N
XLogP2.21
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one with MolForge

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Related Compounds

2-amino-5-methyl-5-(2-methylpropyl)-3-[[1-(2,4,6-trihydroxyphenyl)sulfanylpiperidin-4-yl]methyl]imidazol-4-one
CID 143064380
CID 145461955
CID 145461955
2-amino-3-[[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 143244517
2-amino-3-[[1-(cyclohexylidenemethyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 163575883
4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 145461739
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide
CID 145461386
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 70304549
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 59262451

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The IUPAC name of 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one (CID 70335520) is 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one is CC(C)CC1(C)N=C(N)N(CC2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O.
What is the InChIKey of 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
The InChIKey is CEYOKRACNKMQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14(2)12-21(3)19(28)25(20(22)23-21)13-15-8-10-24(11-9-15)18(27)16-4-6-17(26)7-5-16/h4-7,14-15,26H,8-13H2,1-3H3,(H2,22,23).
What are the key properties of 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one?
2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one has a molecular weight of 386.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[1-(4-hydroxybenzoyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one is sourced from PubChem (CID 70335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).