2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one

C21H30N4O2 — CID 89115826

IUPAC2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one
SMILESCCCCC1([C@H]2CCCN(C(=O)Cc3ccccc3)C2)N=C(N)N(C)C1=O
InChIInChI=1S/C21H30N4O2/c1-3-4-12-21(19(27)24(2)20(22)23-21)17-11-8-13-25(15-17)18(26)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H2,22,23)/t17-,21?/m0/s1
InChIKeyVCQBCNHYNCOLNM-PBVYKCSPSA-N
MW370.50 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one

2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one (PubChem CID 89115826) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one
PubChem CID89115826
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one
SMILESCCCCC1([C@H]2CCCN(C(=O)Cc3ccccc3)C2)N=C(N)N(C)C1=O
InChIInChI=1S/C21H30N4O2/c1-3-4-12-21(19(27)24(2)20(22)23-21)17-11-8-13-25(15-17)18(26)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H2,22,23)/t17-,21?/m0/s1
InChIKeyVCQBCNHYNCOLNM-PBVYKCSPSA-N
XLogP2.18
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one with MolForge

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Related Compounds

(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one
CID 25007554
(5S)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-3-methyl-1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 143244228
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
tert-butyl 3-[1-[[4-(acetamidomethyl)phenyl]methyl]-2-amino-4-butyl-5-oxoimidazol-4-yl]piperidine-1-carboxylate
CID 70335548
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
CID 58425188
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-phenylethanone
CID 7001757
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one?
The IUPAC name of 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one (CID 89115826) is 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one?
The canonical SMILES for 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one is CCCCC1([C@H]2CCCN(C(=O)Cc3ccccc3)C2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one?
The InChIKey is VCQBCNHYNCOLNM-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-4-12-21(19(27)24(2)20(22)23-21)17-11-8-13-25(15-17)18(26)14-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H2,22,23)/t17-,21?/m0/s1.
What are the key properties of 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one?
2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one has a molecular weight of 370.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one is sourced from PubChem (CID 89115826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).