4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide

C17H28N4O2 — CID 97021838

IUPAC4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
SMILESCO[C@]1(C)C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C
InChIInChI=1S/C17H28N4O2/c1-16(2)14(11-17(16,3)23-4)19-15(22)20-8-5-13(6-9-20)21-10-7-18-12-21/h7,10,12-14H,5-6,8-9,11H2,1-4H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyZLFPBQVZSZSEPN-WMLDXEAASA-N
MW320.44 g/mol
LogP2.43
Rot. Bonds3

About 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide

4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide (PubChem CID 97021838) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
PubChem CID97021838
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
SMILESCO[C@]1(C)C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C
InChIInChI=1S/C17H28N4O2/c1-16(2)14(11-17(16,3)23-4)19-15(22)20-8-5-13(6-9-20)21-10-7-18-12-21/h7,10,12-14H,5-6,8-9,11H2,1-4H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyZLFPBQVZSZSEPN-WMLDXEAASA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 71917763
1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004608
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 71976424
N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
CID 164659037
2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 67154491
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide (CID 97021838) is 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide is CO[C@]1(C)C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C.
What is the InChIKey of 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The InChIKey is ZLFPBQVZSZSEPN-WMLDXEAASA-N. The full InChI is InChI=1S/C17H28N4O2/c1-16(2)14(11-17(16,3)23-4)19-15(22)20-8-5-13(6-9-20)21-10-7-18-12-21/h7,10,12-14H,5-6,8-9,11H2,1-4H3,(H,19,22)/t14-,17+/m0/s1.
What are the key properties of 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 97021838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).