N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide

C22H31FN4O — CID 91923917

IUPACN-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
SMILESCc1cnc(CC2CCCN(C(=O)NC(C)(C)C)C2)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H31FN4O/c1-16-13-24-20(27(16)15-17-7-9-19(23)10-8-17)12-18-6-5-11-26(14-18)21(28)25-22(2,3)4/h7-10,13,18H,5-6,11-12,14-15H2,1-4H3,(H,25,28)
InChIKeyFFNJJFQRQAEENT-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.14
Rot. Bonds4

About N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide

N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 91923917) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
PubChem CID91923917
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC NameN-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
SMILESCc1cnc(CC2CCCN(C(=O)NC(C)(C)C)C2)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H31FN4O/c1-16-13-24-20(27(16)15-17-7-9-19(23)10-8-17)12-18-6-5-11-26(14-18)21(28)25-22(2,3)4/h7-10,13,18H,5-6,11-12,14-15H2,1-4H3,(H,25,28)
InChIKeyFFNJJFQRQAEENT-UHFFFAOYSA-N
XLogP4.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
[2-(4-fluorophenyl)cyclopropyl]-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 71915908
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
tert-butyl (3S)-3-[[5-fluoro-2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 124978162
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide (CID 91923917) is N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide is Cc1cnc(CC2CCCN(C(=O)NC(C)(C)C)C2)n1Cc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is FFNJJFQRQAEENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-16-13-24-20(27(16)15-17-7-9-19(23)10-8-17)12-18-6-5-11-26(14-18)21(28)25-22(2,3)4/h7-10,13,18H,5-6,11-12,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide?
N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91923917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).