4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide

C24H37N5O — CID 145461739

IUPAC4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESC=C1N(CC2CCN(C(=O)NCCc3ccccc3)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C24H37N5O/c1-18(2)16-24(4)19(3)29(22(25)27-24)17-21-11-14-28(15-12-21)23(30)26-13-10-20-8-6-5-7-9-20/h5-9,18,21H,3,10-17H2,1-2,4H3,(H2,25,27)(H,26,30)
InChIKeyPLSMJSZHTLPUIA-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.60
Rot. Bonds7

About 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 145461739) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID145461739
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESC=C1N(CC2CCN(C(=O)NCCc3ccccc3)CC2)C(N)=NC1(C)CC(C)C
InChIInChI=1S/C24H37N5O/c1-18(2)16-24(4)19(3)29(22(25)27-24)17-21-11-14-28(15-12-21)23(30)26-13-10-20-8-6-5-7-9-20/h5-9,18,21H,3,10-17H2,1-2,4H3,(H2,25,27)(H,26,30)
InChIKeyPLSMJSZHTLPUIA-UHFFFAOYSA-N
XLogP3.60
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
CID 145461955
CID 145461955
4-[2-[2-amino-5-ethenylidene-4-methyl-4-(2-methylpropyl)imidazol-1-yl]ethyl]-N-[2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidine-1-carboxamide
CID 176533429
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 89115928
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide
CID 145460858
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63793349
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 145461739) is 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide is C=C1N(CC2CCN(C(=O)NCCc3ccccc3)CC2)C(N)=NC1(C)CC(C)C.
What is the InChIKey of 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is PLSMJSZHTLPUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-18(2)16-24(4)19(3)29(22(25)27-24)17-21-11-14-28(15-12-21)23(30)26-13-10-20-8-6-5-7-9-20/h5-9,18,21H,3,10-17H2,1-2,4H3,(H2,25,27)(H,26,30).
What are the key properties of 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 145461739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).