3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide

C18H24FN5O — CID 146103693

IUPAC3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)Nc2ccncc2F)C1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)24-12-21-10-16(24)13-5-4-8-23(11-13)17(25)22-15-6-7-20-9-14(15)19/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,20,22,25)
InChIKeyZWBWXEVEKCGTIX-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.58
Rot. Bonds2

About 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide

3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 146103693) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide
PubChem CID146103693
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C)n1cncc1C1CCCN(C(=O)Nc2ccncc2F)C1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)24-12-21-10-16(24)13-5-4-8-23(11-13)17(25)22-15-6-7-20-9-14(15)19/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,20,22,25)
InChIKeyZWBWXEVEKCGTIX-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
methyl (E)-4-[3-(3-tert-butylimidazol-4-yl)piperidin-1-yl]-4-oxobut-2-enoate
CID 146099412
3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 138010718
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
(3R)-N-(3-fluoro-4-pyridinyl)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carboxamide
CID 129333410
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 75506359
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide (CID 146103693) is 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide is CC(C)(C)n1cncc1C1CCCN(C(=O)Nc2ccncc2F)C1.
What is the InChIKey of 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is ZWBWXEVEKCGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-18(2,3)24-12-21-10-16(24)13-5-4-8-23(11-13)17(25)22-15-6-7-20-9-14(15)19/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,20,22,25).
What are the key properties of 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide?
3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylimidazol-4-yl)-N-(3-fluoro-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 146103693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).