tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate

C26H33FN4O3 — CID 57444915

IUPACtert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc(C(=O)N3CCC(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C26H33FN4O3/c1-26(2,3)34-25(33)31-17-15-29(16-18-31)23-10-6-9-22(28-23)24(32)30-13-11-19(12-14-30)20-7-4-5-8-21(20)27/h4-10,19H,11-18H2,1-3H3
InChIKeyULYAPQWLFUVGEC-UHFFFAOYSA-N
MW468.57 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 57444915) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 g/mol. Its IUPAC name is tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID57444915
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Nametert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc(C(=O)N3CCC(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C26H33FN4O3/c1-26(2,3)34-25(33)31-17-15-29(16-18-31)23-10-6-9-22(28-23)24(32)30-13-11-19(12-14-30)20-7-4-5-8-21(20)27/h4-10,19H,11-18H2,1-3H3
InChIKeyULYAPQWLFUVGEC-UHFFFAOYSA-N
XLogP4.30
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[4-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3408286
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 3-[[4-(2-fluorophenyl)cyclohexyl]amino]pyrrolidine-1-carboxylate
CID 21187676
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine-1-carboxylate
CID 142946477
tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 67975670
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate (CID 57444915) is tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccc(C(=O)N3CCC(c4ccccc4F)CC3)n2)CC1.
What is the InChIKey of tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is ULYAPQWLFUVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O3/c1-26(2,3)34-25(33)31-17-15-29(16-18-31)23-10-6-9-22(28-23)24(32)30-13-11-19(12-14-30)20-7-4-5-8-21(20)27/h4-10,19H,11-18H2,1-3H3.
What are the key properties of tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 468.57 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 57444915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).